Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 5/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 5/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.50 |
| ▸ | NPC1 | O15118 | 3/20 | 0.50 |
| ▸ | RAB9A | P51151 | 3/20 | 0.50 |
| ▸ | CYP2E1 | P05181 | 3/20 | 0.40 |
| ▸ | CYP2C8 | P10632 | 3/20 | 0.40 |
| ▸ | CYP2B6 | P20813 | 3/20 | 0.40 |
| ▸ | BRS3 | P32247 | 1/20 | 0.38 |
| ▸ | NOS3 | P29474 | 1/20 | 0.37 |
| ▸ | NOS1 | P29475 | 1/20 | 0.37 |
| ▸ | NOS2 | P35228 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 4/20 | 0.36 |
| ▸ | MAPT | P10636 | 4/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.35 |
| ▸ | AR | P10275 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL9025923 | 0.90 | BRS3 (0.48) | CYP1A2CYP2D6CYP2C9CYP2C19CYP3A4 | |
| SCHEMBL9025246 | 0.88 | RAB9A (0.64) | CYP1A2CYP2D6CYP2C9CYP2C19CYP3A4 | |
| SCHEMBL9026569 | 0.88 | CYP1A2 (0.55) | CYP1A2CYP2D6CYP2C9CYP2C19CYP3A4 | |
| SCHEMBL26762358 | 0.87 | CYP1A2 (0.59) | CYP1A2CYP2D6CYP2C9CYP2C19CYP3A4 | |
| SCHEMBL9026970 | 0.82 | CYP1A2 (0.54) | CYP1A2CYP2D6CYP2C9CYP2C19CYP3A4 | |
| SCHEMBL9027032 | 0.82 | BRS3 (0.47) | CYP1A2CYP2D6CYP2C9CYP2C19CYP3A4 | |
| SCHEMBL9025905 | 0.82 | CYP1A2 (0.46) | CYP1A2CYP2D6CYP2C9CYP2C19CYP3A4 | |
| SCHEMBL9026197 | 0.80 | CYP1A2 (0.46) | CYP1A2CYP2D6CYP2C9CYP2C19CYP3A4 | |
| SCHEMBL9025986 | 0.80 | CYP1A2 (0.52) | CYP1A2CYP2D6CYP2C9CYP2C19CYP3A4 | |
| SCHEMBL9026097 | 0.79 | RAB9A (0.60) | CYP1A2CYP2D6CYP2C9CYP2C19CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0295603-B1 | Benzimidazol derivatives and therapeutic agent for ulcer comprising the same | EISAI CO LTD (JP) | 1996-09-18 | — | — | EP | disclosed |
| EP-0295603-A1 | Benzimidazol derivatives and therapeutic agent for ulcer comprising the same | Eisai Co., Ltd. (JP) | 1988-12-21 | — | — | EP | disclosed |