Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.88 |
| ▸ | RAB9A | P51151 | 2/20 | 0.88 |
| ▸ | BCHE | P06276 | 1/20 | 0.71 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.68 |
| ▸ | AR | P10275 | 2/20 | 0.65 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.64 |
| ▸ | CYP2E1 | P05181 | 3/20 | 0.64 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.64 |
| ▸ | CYP2C8 | P10632 | 3/20 | 0.64 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.64 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.64 |
| ▸ | CYP2B6 | P20813 | 3/20 | 0.64 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.64 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.63 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.62 |
| ▸ | POLB | P06746 | 1/20 | 0.62 |
| ▸ | LMNA | P02545 | 3/20 | 0.62 |
| ▸ | MAPT | P10636 | 2/20 | 0.60 |
| ▸ | HTT | P42858 | 2/20 | 0.60 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.60 |
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 | |
|---|---|---|---|---|
| SCHEMBL11535096 | 1.00 | NPC1 (0.88) | NPC1RAB9ABCHEALDH1A1AR | |
| SCHEMBL21639229 | 1.00 | NPC1 (0.88) | NPC1RAB9ABCHEALDH1A1AR | |
| SCHEMBL2948524 | 0.98 | RAB9A (0.91) | NPC1RAB9ABCHEALDH1A1AR | |
| SCHEMBL425175 | 0.94 | RAB9A (1.00) | NPC1RAB9ABCHEALDH1A1AR | |
| SCHEMBL14303260 | 0.92 | BCHE (0.83) | NPC1RAB9ABCHEALDH1A1AR | |
| SCHEMBL14304381 | 0.92 | BCHE (0.83) | NPC1RAB9ABCHEALDH1A1AR | |
| SCHEMBL14303261 | 0.92 | BCHE (0.83) | NPC1RAB9ABCHEALDH1A1AR | |
| SCHEMBL6141660 | 0.92 | BCHE (0.83) | NPC1RAB9ABCHEALDH1A1AR | |
| SCHEMBL14304387 | 0.92 | BCHE (0.83) | NPC1RAB9ABCHEALDH1A1AR | |
| Bromide SCHEMBL5084026 | 0.91 | BCHE (0.80) | NPC1RAB9ABCHEALDH1A1AR |
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-5106863-A | Antiulcer agents, gastrointestinal disorders | ORTHO PHARMACEUTICAL CORPORATION (US) | 1992-04-21 | — | — | US | claimed |
| US-5106863-A | Antiulcer agents, gastrointestinal disorders | ORTHO PHARMACEUTICAL CORPORATION (US) | 1992-04-21 | — | — | US | disclosed |