Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATM | Q13315 | 1/20 | 0.49 |
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | CTSK | P43235 | 6/20 | 0.47 |
| ▸ | CTSS | P25774 | 3/20 | 0.46 |
| ▸ | CTSL | P07711 | 2/20 | 0.46 |
| ▸ | CTSB | P07858 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL22118362 | 0.82 | NPC1 (0.48) | ATMNPC1RAB9AALDH1A1CTSS | |
| SCHEMBL29217292 | 0.82 | NPC1 (0.48) | ATMNPC1RAB9AALDH1A1CTSS | |
| SCHEMBL29217267 | 0.81 | NPC1 (0.48) | ATMNPC1RAB9AALDH1A1CTSS | |
| SCHEMBL6710871 | 0.81 | NPC1 (0.47) | ATMNPC1RAB9AALDH1A1CTSS | |
| SCHEMBL22553243 | 0.77 | ATM (0.45) | ATMNPC1RAB9AALDH1A1CTSK | |
| SCHEMBL15708386 | 0.77 | NPC1 (0.49) | ATMNPC1RAB9AALDH1A1CTSS | |
| SCHEMBL14895066 | 0.76 | ATM (0.47) | ATMNPC1RAB9AALDH1A1CTSK | |
| SCHEMBL15575112 | 0.75 | NPC1 (0.50) | ATMNPC1RAB9AALDH1A1CTSS | |
| SCHEMBL19747599 | 0.75 | NPC1 (0.47) | ATMNPC1RAB9AALDH1A1CTSS | |
| SCHEMBL14751533 | 0.74 | CTSS (0.58) | NPC1RAB9AALDH1A1CTSKCTSS |
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 |
|---|---|---|---|---|---|---|---|
| US-6720335-B2 | VIRICIDES | VERTEX PHARMACEUTICALS INCORPORATED | 2004-04-13 | — | — | US | disclosed |
| US-6004957-A | VIRICIDES FOR HUMAN T-CELL LEUKEMIA/LYMPHOMA VIRUS | VERTEX PHARMACEUTICALS, INCORPORATED (US) | 1999-12-21 | — | — | US | disclosed |