Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 3/20 | 0.36 |
| ▸ | TSHR | P16473 | 3/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 3/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL4693976 | 0.89 | NPC1 (0.36) | NPC1RAB9AALDH1A1KMT2AMEN1 | |
| SCHEMBL5722183 | 0.87 | HPGD (0.40) | ALDH1A1KMT2AMEN1HPGDSMN1; SMN2 | |
| SCHEMBL2639950 | 0.86 | CHRM2 (0.37) | NPC1RAB9AALDH1A1KMT2A | |
| SCHEMBL5272613 | 0.85 | PDCD1 (0.38) | NPC1RAB9AALDH1A1KMT2AMEN1 | |
| SCHEMBL5278178 | 0.84 | ALDH1A1 (0.35) | ALDH1A1HPGD | |
| SCHEMBL5810881 | 0.81 | SMN1; SMN2 (0.37) | ALDH1A1HPGDSMN1; SMN2LMNAMAPT | |
| SCHEMBL2639463 | 0.80 | KDM4E (0.46) | RAB9AALDH1A1KMT2AHPGDMAPT | |
| SCHEMBL4695511 | 0.78 | PDCD1 (0.34) | SMN1; SMN2HTT | |
| SCHEMBL5281472 | 0.77 | TAAR1 (0.37) | ALDH1A1KMT2AMEN1SMN1; SMN2HTT | |
| SCHEMBL5272930 | 0.76 | SPHK2 (0.34) | ALDH1A1KMT2AMEN1HPGDTSHR |
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 | disclosed |
| WO-2006138218-A1 | BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS | THERAVANCE, INC. (US) | 2006-12-28 | — | — | WO | disclosed |