Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 3/20 | 0.45 |
| ▸ | HTT | P42858 | 2/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | PLCG1 | P19174 | 1/20 | 0.43 |
| ▸ | MMP2 | P08253 | 3/20 | 0.41 |
| ▸ | CA12 | O43570 | 2/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | MMP1 | P03956 | 1/20 | 0.41 |
| ▸ | MMP9 | P14780 | 1/20 | 0.41 |
| ▸ | MMP8 | P22894 | 1/20 | 0.41 |
| ▸ | MMP13 | P45452 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 2/20 | 0.39 |
| ▸ | CDK1 | P06493 | 1/20 | 0.38 |
| ▸ | CDK2 | P24941 | 1/20 | 0.38 |
| ▸ | KDR | P35968 | 1/20 | 0.38 |
| ▸ | F2 | P00734 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL29850006 | 0.83 | ALDH1A1 (0.48) | CA2HTTMAPK1MMP2CA1 | |
| SCHEMBL17680275 | 0.82 | CA2 (0.41) | CA2HTTMAPK1PLCG1MMP2 | |
| SCHEMBL486801 | 0.80 | HTR6 (0.46) | CA2CA12CA9CA1ALDH1A1 | |
| SCHEMBL24008845 | 0.79 | GAA (0.48) | CA2MMP2CA12CA9CA1 | |
| SCHEMBL2412999 | 0.78 | CA2 (0.48) | CA2HTTMAPK1PLCG1MMP2 | |
| SCHEMBL29849710 | 0.76 | MAOB (0.44) | ALDH1A1SMN1; SMN2GAACDK1CDK2 | |
| SCHEMBL875209 | 0.75 | CA1 (0.50) | CA2HTTMMP2CA12CA9 | |
| SCHEMBL24010099 | 0.75 | MMP13 (0.55) | CA2HTTMMP2CA1MMP1 | |
| SCHEMBL24129786 | 0.75 | CA2 (0.50) | CA2ALDH1A1GAAF2LMNA | |
| SCHEMBL883464 | 0.75 | CA1 (0.50) | CA2HTTMMP2CA12CA9 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023104035-A1 | SUBSTITUTED MONOCYCLIC OR BICYCLIC HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF | 英矽智能科技(上海)有限公司 | 2023-06-15 | — | — | WO | disclosed |
| WO-2016054807-A1 | TrkA KINASE INHIBITORS, COMPOSITIONS AND METHODS THEREOF | MERCK SHARP & DOHME CORP. (US) | 2016-04-14 | — | — | WO | disclosed |