Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | VNN1 | O95497 | 4/20 | 0.41 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.41 |
| ▸ | TNKS | O95271 | 1/20 | 0.40 |
| ▸ | PARP1 | P09874 | 1/20 | 0.40 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.40 |
| ▸ | PARP4 | Q9UKK3 | 1/20 | 0.40 |
| ▸ | PARP3 | Q9Y6F1 | 1/20 | 0.40 |
| ▸ | FNTA | P49354 | 1/20 | 0.40 |
| ▸ | FNTB | P49356 | 1/20 | 0.40 |
| ▸ | CYP17A1 | P05093 | 2/20 | 0.40 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.40 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.38 |
| ▸ | OPRM1 | P35372 | 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 | |
|---|---|---|---|---|
| SCHEMBL27879637 | 0.86 | CTSS (0.42) | PIK3CDKDM4EALDH1A1OPRK1 | |
| SCHEMBL27896413 | 0.83 | CYP1A2 (0.39) | NAPRTCYP1A2CYP3A4CYP2C9TNKS | |
| SCHEMBL27879645 | 0.81 | SIGMAR1 (0.45) | NAPRTCYP1A2CYP3A4CYP2C9VNN1 | |
| SCHEMBL27896388 | 0.72 | KMT2A (0.45) | PARP1SIGMAR1KDM4EALDH1A1 | |
| SCHEMBL15125995 | 0.72 | VHL (0.54) | CYP3A4CYP2C9FNTAFNTBALDH1A1 | |
| SCHEMBL27879627 | 0.70 | VHL (0.65) | P2RX7 | |
| SCHEMBL27896445 | 0.69 | ATM (0.30) | — | |
| SCHEMBL14408202 | 0.69 | NAPRT (0.46) | NAPRTCYP1A2CYP3A4CYP2C9TNKS | |
| SCHEMBL28054810 | 0.69 | PIK3CD (0.55) | PIK3CD | |
| SCHEMBL13272427 | 0.67 | OPRK1 (0.43) | PIK3CDKDM4EALDH1A1OPRK1 |
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-102791693-B | Hepatitis c virus inhibitors | BRISTOL-MYERS SQUIBB CO. (US) | 2016-04-13 | — | — | CN | claimed |
| CN-102791693-A | Hepatitis c virus inhibitors | BRISTOL MYERS SQUIBB CO | 2012-11-21 | — | — | CN | claimed |