Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PLK1 | P53350 | 1/20 | 0.50 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.50 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | NPC1 | O15118 | 4/20 | 0.47 |
| ▸ | RAB9A | P51151 | 4/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | NLRP1 | Q9C000 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | TPSAB1 | Q15661 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL17978853 | 0.89 | NPC1 (0.48) | MAPK1ALDH1A1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL12997229 | 0.85 | LMNA (0.55) | MAPK1ALDH1A1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL12997232 | 0.84 | HDAC3 (0.50) | MAPK1ALDH1A1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL29798859 | 0.83 | NPC1 (0.58) | MAPK1ALDH1A1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL13360502 | 0.81 | SMN1; SMN2 (0.65) | PLK1TAS1R3TAS1R1ALDH1A1TDP1 | |
| SCHEMBL18259868 | 0.80 | POLB (0.61) | MAPK1ALDH1A1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL13814872 | 0.79 | PLK1 (0.53) | PLK1TAS1R3TAS1R1MAPK1ALDH1A1 | |
| SCHEMBL18259815 | 0.78 | NPC1 (0.52) | MAPK1ALDH1A1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL6360077 | 0.77 | PLK1 (0.63) | PLK1TAS1R3TAS1R1MAPK1ALDH1A1 | |
| SCHEMBL5948073 | 0.77 | EPHX2 (0.74) | ALDH1A1NPC1RAB9ASMN1; SMN2MAPT |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2016128456-A1 | COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY | CHIESI FARMACEUTICI S.P.A. (IT) | 2016-08-18 | — | — | WO | disclosed |