Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 3/20 | 0.55 |
| ▸ | CA2 | P00918 | 3/20 | 0.55 |
| ▸ | CA7 | P43166 | 2/20 | 0.55 |
| ▸ | CA9 | Q16790 | 2/20 | 0.55 |
| ▸ | CA12 | O43570 | 1/20 | 0.55 |
| ▸ | CA4 | P22748 | 1/20 | 0.55 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | NOS3 | P29474 | 2/20 | 0.44 |
| ▸ | NOS1 | P29475 | 2/20 | 0.44 |
| ▸ | NOS2 | P35228 | 2/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.44 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.44 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.44 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.44 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.44 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.44 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.44 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.44 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL3325213 | 0.81 | CA1 (0.55) | CA1CA2CA7CA9CA12 | |
| SCHEMBL7104467 | 0.80 | SMN1; SMN2 (0.45) | CA1CA2CA7CA9CA12 | |
| SCHEMBL1405477 | 0.80 | CA1 (0.60) | CA1CA2CA7CA9CA12 | |
| SCHEMBL1405475 | 0.80 | CA1 (0.60) | CA1CA2CA7CA9CA12 | |
| SCHEMBL55260 | 0.80 | CA1 (0.60) | CA1CA2CA7CA9CA12 | |
| SCHEMBL1575877 | 0.78 | CA1 (0.57) | CA1CA2CA7CA9CA12 | |
| SCHEMBL13185882 | 0.76 | CA1 (0.55) | CA1CA2CA7CA9CA12 | |
| SCHEMBL944259 | 0.76 | CA1 (0.55) | CA1CA2CA7CA9CA12 | |
| SCHEMBL3325215 | 0.76 | CA1 (0.55) | CA1CA2CA7CA9CA12 | |
| SCHEMBL14253085 | 0.74 | KMT2A (0.53) | CA1CA2CA7CA9CA12 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 18 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0863877-A4 | ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES | TORREY PINES INST (US) | 1999-07-21 | — | — | EP | claimed |
| US-5874443-A | BIOSYNTHESIS | TREGA BIOSCIENCES, INC. (US) | 1999-02-23 | — | — | US | claimed |
| EP-0863877-A1 | ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES | TORREY PINES INSTITUTE FOR MOLECULAR STUDIES (US) | 1998-09-16 | — | — | EP | claimed |
| WO-1997016428-A1 | ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES | TORREY PINES INSTITUTE FOR MOLECULAR STUDIES (US) | 1997-05-09 | — | — | WO | claimed |
| US-10662194-B2 | Substituted 6-anilino-9-heterocyclylpurine derivatives for inhibition of plant stress | UNIVERZITA PALACKEHO V OLOMOUCI (CZ) | 2020-05-26 | — | — | US | disclosed |
| US-20170342072-A1 | SUBSTITUTED 6-ANILINO-9-HETEROCYCLYLPURINE DERIVATIVES FOR INHIBITION OF PLANT STRESS | UNIVERZITA PALACKEHO V OLOMOUCI (CZ) | 2017-11-30 | — | — | US | disclosed |
| EP-3233860-A1 | SUBSTITUTED 6-ANILINO-9-HETEROCYCLYLPURINE DERIVATIVES FOR INHIBITION OF PLANT STRESS | Univerzita Palackého V Olomouci (CZ) | 2017-10-25 | — | — | EP | disclosed |
| WO-2016095881-A1 | SUBSTITUTED 6-ANILINO-9-HETEROCYCLYLPURINE DERIVATIVES FOR INHIBITION OF PLANT STRESS | UNIVERZITA PALACKEHO V OLOMOUCI (CZ) | 2016-06-23 | — | — | WO | disclosed |
| US-8575182-B2 | 6, 9-disubstituted purine derivatives and their use as cosmetics and cosmetic compositions | Institute of Experimental Botany, Academy of Sciences of the Czeck Republic (CZ) | 2013-11-05 | — | — | US | disclosed |
| EP-2411004-A1 | USE OF ANDROGRAPHOLIDE COMPOUNDS FOR TREATING INFLAMMATION AND AIRWAY DISORDERS | National University of Singapore (SG) | 2012-02-01 | — | — | EP | disclosed |
| US-20110230503-A1 | 6, 9-Disubstituted Purine Derivatives and Their Use as Cosmetics and Cosmetic Compositions | SZUCOVA LUCIE | 2011-09-22 | — | — | US | disclosed |
| US-7960397-B2 | 6,9-disubstituted purine derivatives and their use as cosmetics and cosmetic compositions | INSTITUTE OF EXPERIMENTAL BOTANY, ACADEMY OF SCIENCES OF THE CZECH REPUBLIC (CZ) | 2011-06-14 | — | — | US | disclosed |
| WO-2010110748-A1 | USE OF ANDROGRAPHOLIDE COMPOUNDS FOR TREATING INFLAMMATION AND AIRWAY DISORDERS | NATIONAL UNIVERSITY OF SINGAPORE (SG) | 2010-09-30 | — | — | WO | disclosed |
| US-20090170879-A1 | 6,9-Disubstituted Purine Derivatives and Their Use as Cosmetics and Cosmetic Compositions | SZUCOVA LUCIE | 2009-07-02 | — | — | US | disclosed |
| EP-0863877-A4 | ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES | TORREY PINES INST (US) | 1999-07-21 | — | — | EP | disclosed |
| US-5874443-A | BIOSYNTHESIS | TREGA BIOSCIENCES, INC. (US) | 1999-02-23 | — | — | US | disclosed |
| EP-0863877-A1 | ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES | TORREY PINES INSTITUTE FOR MOLECULAR STUDIES (US) | 1998-09-16 | — | — | EP | disclosed |
| WO-1997016428-A1 | ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES | TORREY PINES INSTITUTE FOR MOLECULAR STUDIES (US) | 1997-05-09 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20090170879-A1 | 6,9-Disubstituted Purine Derivatives and Their Use as Cosmetics and Cosmetic Compositions | P2RY6, UMPS, PNP | CA1 4839/4885CA2 3909/4885CA7 3740/4885 |
| US-10662194-B2 | Substituted 6-anilino-9-heterocyclylpurine derivatives for inhibition of plant stress | TPMT, MTAP, ATIC | CA1 3738/4885CA2 3807/4885CA7 3041/4885 |
| US-20170342072-A1 | SUBSTITUTED 6-ANILINO-9-HETEROCYCLYLPURINE DERIVATIVES FOR INHIBITION OF PLANT STRESS | TPMT, MTAP, ATIC | CA1 3738/4885CA2 3807/4885CA7 3041/4885 |
| US-20110230503-A1 | 6, 9-Disubstituted Purine Derivatives and Their Use as Cosmetics and Cosmetic Compositions | P2RY6, UMPS, PNP | CA1 4839/4885CA2 3909/4885CA7 3740/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.