Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH1 | P35367 | 5/20 | 0.49 |
| ▸ | MAOA | P21397 | 1/20 | 0.45 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.43 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.39 |
| ▸ | RELA | Q04206 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 3/20 | 0.38 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.38 |
| ▸ | AKT2 | P31751 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL1871522 | 0.92 | CYP2A6 (0.47) | HRH1MAOACYP2A6CYP11B1NPC1 | |
| SCHEMBL10483953 | 0.87 | CA12 (0.41) | HRH1SMN1; SMN2 | |
| SCHEMBL1585757 | 0.86 | TAAR1 (0.52) | CYP2A6CYP11B1SMN1; SMN2L3MBTL1HTR2A | |
| SCHEMBL10484115 | 0.84 | SIGMAR1 (0.39) | HRH1CYP2A6 | |
| Hydrochloric Acid SCHEMBL2714671 | 0.84 | TAAR1 (0.50) | CYP2A6CYP11B1MAPK1SMN1; SMN2L3MBTL1 | |
| SCHEMBL20576042 | 0.82 | CYP11B1 (0.41) | CYP11B1NPC1NFKB1MAPK1RAB9A | |
| SCHEMBL10483902 | 0.82 | CYP11B1 (0.41) | CYP11B1NPC1NFKB1MAPK1RAB9A | |
| SCHEMBL18354283 | 0.82 | CYP11B1 (0.41) | CYP2A6CYP11B1NPC1NFKB1MAPK1 | |
| SCHEMBL26394418 | 0.81 | RAB9A (0.54) | NPC1NFKB1MAPK1RAB9ANFKB2 | |
| SCHEMBL1874065 | 0.81 | CA2 (0.41) | CYP11B1NPC1NFKB1MAPK1RAB9A |
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-2346868-A1 | AZAINDAZOLE COMPOUNDS AS CCR1 RECEPTOR ANTAGONISTS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2011-07-27 | — | — | EP | disclosed |
| WO-2010036632-A1 | AZAINDAZOLE COMPOUNDS AS CCR1 RECEPTOR ANTAGONISTS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2010-04-01 | — | — | WO | disclosed |