Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCL1 | Q07820 | 1/20 | 0.49 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.41 |
| ▸ | RECQL | P46063 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | MTNR1A | P48039 | 2/20 | 0.40 |
| ▸ | MTNR1B | P49286 | 2/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | FBP1 | P09467 | 2/20 | 0.39 |
| ▸ | GLA | P06280 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | TRPM8 | Q7Z2W7 | 2/20 | 0.38 |
| ▸ | DHODH | Q02127 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL3912820 | 0.84 | AKR1C3 (0.55) | AKR1C3ALDH1A1TSHRAKR1C1RECQL | |
| SCHEMBL11139540 | 0.84 | ALDH1A1 (0.50) | AKR1C3ALDH1A1TSHRAKR1C1RECQL | |
| SCHEMBL3937738 | 0.82 | AKR1C3 (0.53) | AKR1C3ALDH1A1TSHRAKR1C1RECQL | |
| SCHEMBL23357123 | 0.81 | MAPT (0.42) | AKR1C3ALDH1A1RECQLMEN1KMT2A | |
| SCHEMBL23357121 | 0.81 | MAPT (0.42) | AKR1C3ALDH1A1RECQLMEN1KMT2A | |
| SCHEMBL9099207 | 0.79 | ALDH1A1 (0.50) | AKR1C3ALDH1A1AKR1C1RECQLMEN1 | |
| SCHEMBL815584 | 0.79 | ALDH1A1 (0.50) | AKR1C3ALDH1A1AKR1C1RECQLMEN1 | |
| SCHEMBL8639781 | 0.75 | ALDH1A1 (0.43) | MCL1AKR1C3ALDH1A1TSHRAKR1C1 | |
| SCHEMBL9587353 | 0.74 | MEN1 (0.68) | ALDH1A1MEN1KMT2ATDP1CYP2C9 | |
| SCHEMBL9587350 | 0.74 | MEN1 (0.68) | ALDH1A1MEN1KMT2ATDP1CYP2C9 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6414013-B1 | KINASE INHIBITORS; ANTICANCER AGENTS | PHARMACIA & UPJOHN S.P.A. (IT) | 2002-07-02 | — | — | US | disclosed |