Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | CNR1 | P21554 | 1/20 | 0.37 |
| ▸ | MMP1 | P03956 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | F10 | P00742 | 1/20 | 0.35 |
| ▸ | IDH1 | O75874 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.35 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.35 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.35 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.35 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.35 |
| ▸ | PSENEN | Q9NZ42 | 1/20 | 0.35 |
| ▸ | FAAH | O00519 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7044049 | 0.93 | KDR (0.41) | ROCK2MAPTHTTCNR1MMP1 | |
| SCHEMBL7176912 | 0.93 | MAPT (0.39) | ROCK2MAPTHTTMMP1MEN1 | |
| SCHEMBL5033479 | 0.92 | MEN1 (0.42) | MAPTMEN1KMT2AF10IDH1 | |
| SCHEMBL5033465 | 0.91 | CNR1 (0.43) | CNR1MEN1KMT2ANPC1RAB9A | |
| SCHEMBL7049236 | 0.89 | MMP1 (0.38) | ROCK2MAPTHTTMMP1CYP2D6 | |
| SCHEMBL5040906 | 0.88 | NPC1 (0.46) | MAPTHTTMMP1NPC1RAB9A | |
| SCHEMBL5036523 | 0.87 | NPC1 (0.48) | MAPTHTTMMP1NPC1RAB9A | |
| SCHEMBL5037996 | 0.86 | NPC1 (0.44) | MAPTHTTMMP1NPC1RAB9A | |
| SCHEMBL5036489 | 0.85 | KDR (0.43) | CYP3A4CYP2D6RAB9AKDRTEK | |
| SCHEMBL5036005 | 0.85 | KDR (0.46) | MAPTMEN1KMT2AIDH1CYP3A4 |
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-1432417-A2 | SUBSTITUTED BENZIMIDAZOLE COMPOUNDS AND THEIR USE FOR THE TREATMENT OF CANCER | Aventis Pharma S.A. (FR) | 2004-06-30 | — | — | EP | disclosed |
| WO-2003028721-A2 | SUBSTITUTED BENZIMIDAZOLE COMPOUNDS AND THEIR USE FOR THE TREATMENT OF CANCER | AVENTIS PHARMA S.A. (FR) | 2003-04-10 | — | — | WO | disclosed |