Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 5/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | ATM | Q13315 | 1/20 | 0.43 |
| ▸ | F2RL3 | Q96RI0 | 11/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.33 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.33 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL19783258 | 0.78 | PTGS2 (0.37) | F2RL3PTGS2CYP11B1CYP11B2 | |
| SCHEMBL19783305 | 0.73 | F2RL3 (0.42) | F2RL3 | |
| SCHEMBL19783100 | 0.70 | F2RL3 (0.53) | F2RL3 | |
| SCHEMBL19782576 | 0.69 | F2RL3 (0.38) | F2RL3 | |
| SCHEMBL7995902 | 0.66 | PTGS2 (0.48) | PTGS2CYP1A2CYP11B1CYP11B2 | |
| SCHEMBL30268490 | 0.64 | PTGS2 (0.46) | ALDH1A1PTGS2CYP11B1CYP11B2 | |
| SCHEMBL18425977 | 0.63 | F2RL3 (0.76) | F2RL3 | |
| SCHEMBL31211626 | 0.62 | PTGS2 (0.47) | ALDH1A1PTGS2RXFP1CYP11B1CYP11B2 | |
| SCHEMBL6280771 | 0.62 | CYP11B1 (0.51) | ALDH1A1PTGS2CYP11B1CYP11B2 | |
| SCHEMBL29897853 | 0.62 | CYP11B1 (0.51) | ALDH1A1PTGS2CYP11B1CYP11B2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018013774-A1 | BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2018-01-18 | — | — | WO | disclosed |