Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM2 | P08172 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | AKT1 | P31749 | 1/20 | 0.39 |
| ▸ | AKT2 | P31751 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.37 |
| ▸ | LTA4H | P09960 | 2/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | BCHE | P06276 | 1/20 | 0.36 |
| ▸ | MAOA | P21397 | 1/20 | 0.36 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
| ▸ | MAOB | P27338 | 1/20 | 0.36 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.36 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL5412081 | 0.91 | CD274 (0.44) | NPC1RAB9AAKT1AKT2CD274 | |
| SCHEMBL2639518 | 0.88 | NPC1 (0.45) | CHRM2NPC1RAB9AAKT1AKT2 | |
| SCHEMBL6022146 | 0.86 | SPHK1 (0.39) | CD274 | |
| SCHEMBL4695511 | 0.86 | PDCD1 (0.34) | CD274 | |
| SCHEMBL4695744 | 0.86 | HDAC1 (0.37) | CHRM2RAB9AKDM4EALDH1A1KCNH2 | |
| SCHEMBL4691194 | 0.85 | DRD4 (0.38) | NPC1RAB9AAKT1KDM4EALDH1A1 | |
| SCHEMBL2639688 | 0.85 | POLB (0.44) | CHRM2NPC1RAB9AAKT1AKT2 | |
| SCHEMBL4691952 | 0.84 | PDCD1 (0.35) | ALDH1A1CD274LTA4H | |
| SCHEMBL6022372 | 0.84 | CHRM2 (0.33) | CHRM2NPC1RAB9AAKT1AKT2 | |
| SCHEMBL6021912 | 0.84 | CHRM2 (0.56) | CHRM2NPC1RAB9AAKT1AKT2 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2453894-A1 | CRYSTALLINE FREEBASE FORMS OF A BIPHENYL COMPOUND | Theravance, Inc. (US) | 2012-05-23 | — | — | EP | claimed |
| EP-1856050-A1 | CRYSTALLINE FORMS OF A BIPHENYL COMPOUND | Theravance, Inc. (US) | 2007-11-21 | — | — | EP | claimed |
| WO-2006099165-A1 | CRYSTALLINE FORMS OF A BIPHENYL COMPOUND | THERAVANCE, INC. (US) | 2006-09-21 | — | — | WO | claimed |
| EP-2453894-A1 | CRYSTALLINE FREEBASE FORMS OF A BIPHENYL COMPOUND | Theravance, Inc. (US) | 2012-05-23 | — | — | EP | disclosed |
| EP-1856050-A1 | CRYSTALLINE FORMS OF A BIPHENYL COMPOUND | Theravance, Inc. (US) | 2007-11-21 | — | — | EP | disclosed |
| WO-2006099165-A1 | CRYSTALLINE FORMS OF A BIPHENYL COMPOUND | THERAVANCE, INC. (US) | 2006-09-21 | — | — | WO | disclosed |