Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.53 |
| ▸ | CA12 | O43570 | 2/20 | 0.49 |
| ▸ | CA1 | P00915 | 2/20 | 0.49 |
| ▸ | CA2 | P00918 | 2/20 | 0.49 |
| ▸ | CA7 | P43166 | 2/20 | 0.49 |
| ▸ | CA9 | Q16790 | 2/20 | 0.49 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.46 |
| ▸ | RAB9A | P51151 | 3/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.46 |
| ▸ | HPGD | P15428 | 2/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL26586688 | 0.86 | KMT2A (0.39) | TSHRCA12CA1CA2CA7 | |
| SCHEMBL28039456 | 0.86 | TSHR (0.53) | TSHRCA12CA1CA2CA7 | |
| SCHEMBL14841131 | 0.84 | CA12 (0.57) | TSHRCA12CA1CA2CA7 | |
| SCHEMBL301748 | 0.83 | TSHR (0.64) | TSHRCA12CA1CA2CA7 | |
| SCHEMBL1016603 | 0.83 | ALDH1A1 (0.52) | TSHRCA12CA1CA2CA7 | |
| SCHEMBL2033060 | 0.83 | MAPK1 (0.51) | TSHRCA12CA1CA2CA7 | |
| SCHEMBL8180907 | 0.83 | TSHR (0.55) | TSHRCA12CA1CA2CA7 | |
| SCHEMBL31506855 | 0.81 | CYP46A1 (0.53) | TSHRCA12CA1CA2CA7 | |
| SCHEMBL4834369 | 0.81 | MEN1 (0.60) | TSHRCA12CA1CA2CA7 | |
| SCHEMBL1421927 | 0.81 | CYP46A1 (0.53) | TSHRCA12CA1CA2CA7 |
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 |
|---|---|---|---|---|---|---|---|
| CN-117865925-A | 3, 4-benzocoumarin compound based on complex functional aromatic hydrocarbon and preparation method and application thereof | 上海瑞苷生物科技有限公司 | 2024-04-12 | — | — | CN | disclosed |
| WO-2008131276-A1 | KINASE INHIBITORS USEFUL FOR THE TREATMENT OF MYLEOPROLIFERATIVE DISEASES AND OTHER PROLIFERATIVE DISEASES | DECIPHERA PHARMACEUTICALS, LLC (US) | 2008-10-30 | — | — | WO | disclosed |