Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NQO1 | P15559 | 7/20 | 0.40 |
| ▸ | VKORC1 | Q9BQB6 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | TP53 | P04637 | 2/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.35 |
| ▸ | PCSK7 | Q16549 | 1/20 | 0.35 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL8945484 | 0.93 | NQO1 (0.40) | NQO1VKORC1 | |
| SCHEMBL8945587 | 0.86 | L3MBTL1 (0.41) | NQO1VKORC1NPC1RAB9AALDH1A1 | |
| SCHEMBL8945550 | 0.85 | NQO1 (0.50) | NQO1VKORC1ALDH1A1MEN1TP53 | |
| SCHEMBL8945273 | 0.85 | NQO1 (0.44) | NQO1VKORC1NPC1RAB9AALDH1A1 | |
| SCHEMBL8945281 | 0.84 | LMNA (0.47) | NQO1NPC1RAB9AALDH1A1MEN1 | |
| SCHEMBL8945341 | 0.84 | NQO1 (0.40) | NQO1VKORC1ALDH1A1MEN1TP53 | |
| SCHEMBL8945487 | 0.80 | KDM4E (0.50) | NQO1NPC1RAB9AALDH1A1MEN1 | |
| SCHEMBL8945493 | 0.79 | AKR1C3 (0.52) | NQO1NPC1RAB9AALDH1A1MEN1 | |
| SCHEMBL8945477 | 0.79 | VKORC1 (0.39) | NQO1VKORC1ALDH1A1MEN1KMT2A | |
| SCHEMBL8945575 | 0.79 | NQO1 (0.40) | NQO1VKORC1 |
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-5510375-A | VIRICIDES TREATING INFECTION CAUSED BY HUMAN IMMUNODEFICIENCY VIRUS AND AIDS | WARNER-LAMBERT COMPANY (US) | 1996-04-23 | — | — | US | disclosed |