Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | PDCD1 | Q15116 | 6/20 | 0.35 |
| ▸ | CD274 | Q9NZQ7 | 6/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 2/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | PTGER2 | P43116 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL4694436 | 0.89 | NPC1 (0.38) | NPC1RAB9AALDH1A1KMT2AMEN1 | |
| SCHEMBL4692679 | 0.84 | PDCD1 (0.41) | PDCD1CD274ALDH1A1KMT2AMEN1 | |
| SCHEMBL5272613 | 0.83 | PDCD1 (0.38) | NPC1RAB9APDCD1CD274ALDH1A1 | |
| SCHEMBL4695551 | 0.83 | CNR2 (0.40) | RAB9APDCD1CD274KMT2AMEN1 | |
| SCHEMBL2639950 | 0.82 | CHRM2 (0.37) | NPC1RAB9ACD274ALDH1A1KMT2A | |
| SCHEMBL4790223 | 0.82 | MCHR1 (0.39) | NPC1RAB9APDCD1CD274SMN1; SMN2 | |
| SCHEMBL6028196 | 0.81 | ITGB1 (0.33) | ALDH1A1HRH3SMN1; SMN2 | |
| SCHEMBL5278178 | 0.81 | ALDH1A1 (0.35) | ALDH1A1HPGD | |
| SCHEMBL4696335 | 0.80 | PDCD1 (0.44) | PDCD1CD274ALDH1A1HTTSMN1; SMN2 | |
| SCHEMBL5722183 | 0.79 | HPGD (0.40) | CD274ALDH1A1KMT2AMEN1HPGD |
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-1893577-A1 | BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS | Theravance, Inc. (US) | 2008-03-05 | — | — | EP | claimed |
| WO-2006138218-A1 | BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS | THERAVANCE, INC. (US) | 2006-12-28 | — | — | WO | claimed |