Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
| ▸ | CA12 | O43570 | 6/20 | 0.44 |
| ▸ | CA9 | Q16790 | 6/20 | 0.44 |
| ▸ | CA2 | P00918 | 5/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | APEX1 | P27695 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 5/20 | 0.37 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | MLYCD | O95822 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL3621282 | 0.85 | ALDH1A1 (0.56) | ALDH1A1HPGDCA12CA9CA2 | |
| SCHEMBL5712587 | 0.83 | CA12 (0.44) | CA12CA9CA2TP53CA1 | |
| SCHEMBL10341598 | 0.83 | CA12 (0.44) | CA12CA9CA2TP53CA1 | |
| SCHEMBL11315449 | 0.83 | CA12 (0.44) | CA12CA9CA2TP53CA1 | |
| SCHEMBL2977192 | 0.80 | LMNA (0.50) | ALDH1A1CA12CA9CA2CA1 | |
| SCHEMBL16133337 | 0.79 | ALDH1A1 (0.47) | ALDH1A1HPGDCA12CA9CA2 | |
| SCHEMBL15224146 | 0.79 | KDM5A (0.33) | ALDH1A1HPGDCA12CA9CA2 | |
| SCHEMBL3351986 | 0.79 | ALDH1A1 (0.57) | ALDH1A1HPGDCA12CA9CA2 | |
| SCHEMBL7482394 | 0.78 | ALDH1A1 (0.50) | ALDH1A1HPGDCA12CA9CA2 | |
| SCHEMBL1890865 | 0.78 | MAOA (0.31) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111071993-B | Working solution solvent system | 中国石油化工股份有限公司 | 2021-06-04 | — | — | CN | disclosed |
| CN-111071993-A | Working solution solvent system | 中国石油化工股份有限公司 | 2020-04-28 | — | — | CN | disclosed |
| CN-108026027-A | substituted Malonamide compounds and their use as antibacterial agents | 邱浩杰 | 2018-05-11 | — | — | CN | disclosed |
| US-7727997-B2 | N,N′-substituted-1,3-diamino-2-hydroxypropane derivatives | ELAN PHARMACEUTICALS, INC. (US) | 2010-06-01 | — | — | US | disclosed |
| US-20070213316-A1 | Compounds that are effective inhibitors of beta-secretase; inhibitors of beta-secretase-mediated cleavage of amyloid precursor proteins; effective inhibitors of A beta production, and/or are effective to reduce amyloid beta deposits or plaques; treatment of disorders such as Alzheimer's Disease | ELAN PHARMACEUTICALS, INC. | 2007-09-13 | — | — | US | disclosed |
| US-7176242-B2 | N,N′-substituted-1,3-diamino-2-hydroxypropane derivatives | ELAN PHARMACEUTICALS, INC. (US) | 2007-02-13 | — | — | US | disclosed |
| EP-0410726-A1 | S-substituted beta-thioacrylamides and their use as microbicides | ROHM AND HAAS COMPANY (US) | 1991-01-30 | — | — | EP | 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 (1 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-20070213316-A1 | Compounds that are effective inhibitors of beta-secretase; inhibitors of beta-secretase-mediated cleavage of amyloid precursor proteins; effective inhibitors of A beta production, and/or are effective to reduce amyloid beta deposits or plaques; treatment of disorders such as Alzheimer's Disease | BACE1, BACE2, APP | ALDH1A1 2133/4885HPGD 1390/4885CA12 4160/4885 |
“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.