Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR1 | P32246 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | CCR5 | P51681 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | EGFR | P00533 | 4/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.32 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | S100A4 | P26447 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL10071721 | 0.77 | CYP3A4 (0.32) | — | |
| SCHEMBL13952702 | 0.77 | CCR1 (0.39) | CCR1RAB9ACCR5ALDH1A1KMT2A | |
| SCHEMBL12516223 | 0.74 | — | — | |
| SCHEMBL191977 | 0.74 | ALDH1A1 (0.36) | CCR1RAB9ACCR5ALDH1A1POLB | |
| SCHEMBL12060293 | 0.74 | POLB (0.37) | RAB9AALDH1A1MAPK1SMN1; SMN2KMT2A | |
| SCHEMBL22705058 | 0.71 | KDM4E (0.35) | CCR1RAB9ACCR5ALDH1A1ADORA2A | |
| SCHEMBL16046525 | 0.70 | — | — | |
| SCHEMBL14855312 | 0.70 | CCR1 (0.36) | CCR1RAB9ACCR5ALDH1A1MAPK1 | |
| SCHEMBL2395774 | 0.70 | ALDH1A1 (0.53) | CCR1RAB9ACCR5ALDH1A1MAPK1 | |
| SCHEMBL12892475 | 0.70 | CHRNB2 (0.33) | — |
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-2364313-B1 | AZA-BENZIMIDAZOLONE CHYMASE INHIBITORS | BOEHRINGER INGELHEIM INT (DE) | 2014-01-08 | — | — | EP | disclosed |
| US-7915280-B2 | Compounds and their uses | EISAI INC. (US) | 2011-03-29 | — | — | US | disclosed |