Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.51 |
| ▸ | ATM | Q13315 | 1/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.49 |
| ▸ | ESR1 | P03372 | 1/20 | 0.46 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.46 |
| ▸ | ACACB | O00763 | 1/20 | 0.45 |
| ▸ | SLC7A5 | Q01650 | 3/20 | 0.44 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | DPP4 | P27487 | 1/20 | 0.43 |
| ▸ | FAP | Q12884 | 1/20 | 0.43 |
| ▸ | DPP8 | Q6V1X1 | 1/20 | 0.43 |
| ▸ | DPP9 | Q86TI2 | 1/20 | 0.43 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.43 |
| ▸ | ALPI | P09923 | 1/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.43 |
| ▸ | XIAP | P98170 | 1/20 | 0.43 |
| ▸ | LTA4H | P09960 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL10076403 | 1.00 | ALDH1A1 (0.51) | ALDH1A1ATML3MBTL1ESR1ESR2 | |
| SCHEMBL16060244 | 1.00 | ALDH1A1 (0.51) | ALDH1A1ATML3MBTL1ESR1ESR2 | |
| Hydrochloric Acid SCHEMBL16060242 | 0.98 | ALDH1A1 (0.53) | ALDH1A1ATML3MBTL1ESR1ESR2 | |
| Hydrochloric Acid SCHEMBL16060240 | 0.98 | ALDH1A1 (0.53) | ALDH1A1ATML3MBTL1ESR1ESR2 | |
| SCHEMBL539211 | 0.95 | TPH1 (0.48) | ALDH1A1ATML3MBTL1ESR1ESR2 | |
| SCHEMBL539210 | 0.95 | TPH1 (0.48) | ALDH1A1ATML3MBTL1ESR1ESR2 | |
| Hydrochloric Acid SCHEMBL539863 | 0.94 | ALDH1A1 (0.50) | ALDH1A1ATML3MBTL1ESR1ESR2 | |
| Hydrochloric Acid SCHEMBL539862 | 0.94 | ALDH1A1 (0.50) | ALDH1A1ATML3MBTL1ESR1ESR2 | |
| SCHEMBL31686091 | 0.91 | NOS2 (0.46) | ALDH1A1ATML3MBTL1ESR1ESR2 | |
| SCHEMBL31686041 | 0.91 | ACACB (0.59) | ALDH1A1ACACB |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106188224-A | A kind of multiple target-point anti-cancer medicine and preparation method and application | 广东工业大学 | 2016-12-07 | — | — | CN | claimed |
| CN-106188224-B | A kind of multiple target-point anti-cancer drug and the preparation method and application thereof | GUANGDONG UNIVERSITY OF TECHNOLOGY (CN) | 2019-10-29 | — | — | CN | disclosed |
| US-20160367693-A1 | Selective Arylation of Dichalcogenides in Biomolecules | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2016-12-22 | — | — | US | disclosed |
| WO-2016205798-A1 | SELECTIVE ARYLATION OF DICHALCOGENIDES IN BIOMOLECULES | MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 2016-12-22 | — | — | WO | disclosed |
| CN-106188224-A | A kind of multiple target-point anti-cancer medicine and preparation method and application | 广东工业大学 | 2016-12-07 | — | — | CN | disclosed |
| US-20140309265-A1 | MACROCYCLIC COMPOUNDS FOR INHIBITION OF INHIBITORS OF APOPTOSIS | ENSEMBLE THERAPEUTICS (US) | 2014-10-16 | — | — | US | disclosed |
| US-20140155355-A1 | MAO-B INHIBITORS USEFUL FOR TREATING OBESITY | JENRIN DISCOVERY, INC. | 2014-06-05 | — | — | US | disclosed |
| US-20120015909-A1 | MAO-B INHIBITORS USEFUL FOR TREATING OBESITY | JENRIN DISCOVERY (US) | 2012-01-19 | — | — | US | 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-20120015909-A1 | MAO-B INHIBITORS USEFUL FOR TREATING OBESITY | MAOB, MAOA, GPR119 | ALDH1A1 399/4885ATM 2278/4885L3MBTL1 3737/4885 |
| US-20140309265-A1 | MACROCYCLIC COMPOUNDS FOR INHIBITION OF INHIBITORS OF APOPTOSIS | API5, BIRC5, BAD | ALDH1A1 3903/4885ATM 1240/4885L3MBTL1 400/4885 |
| US-20160367693-A1 | Selective Arylation of Dichalcogenides in Biomolecules | SCLY, SELENOI, TPO | ALDH1A1 3721/4885ATM 4681/4885L3MBTL1 2233/4885 |
| US-20140155355-A1 | MAO-B INHIBITORS USEFUL FOR TREATING OBESITY | MAOB, MAOA, GPR119 | ALDH1A1 399/4885ATM 2278/4885L3MBTL1 3737/4885 |
“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.