Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.46 |
| ▸ | NPC1 | O15118 | 4/20 | 0.46 |
| ▸ | RAB9A | P51151 | 4/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.40 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.40 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.40 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.40 |
| ▸ | CTSL | P07711 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL23733552 | 0.93 | SMN1; SMN2 (0.46) | SMN1; SMN2NPC1RAB9ACYP2C19ALDH1A1 | |
| SCHEMBL18909590 | 0.86 | SMN1; SMN2 (0.48) | SMN1; SMN2NPC1RAB9ACYP2C19ALDH1A1 | |
| SCHEMBL22280532 | 0.86 | LTA4H (0.48) | SMN1; SMN2NPC1RAB9ACYP2C19ALDH1A1 | |
| SCHEMBL23027037 | 0.86 | LTA4H (0.48) | SMN1; SMN2NPC1RAB9ACYP2C19ALDH1A1 | |
| SCHEMBL21100502 | 0.85 | ALDH1A1 (0.43) | SMN1; SMN2NPC1RAB9ACYP2C19ALDH1A1 | |
| SCHEMBL21165288 | 0.85 | ALDH1A1 (0.43) | SMN1; SMN2NPC1RAB9ACYP2C19ALDH1A1 | |
| SCHEMBL21100503 | 0.85 | ALDH1A1 (0.43) | SMN1; SMN2NPC1RAB9ACYP2C19ALDH1A1 | |
| SCHEMBL21100504 | 0.85 | ALDH1A1 (0.43) | SMN1; SMN2NPC1RAB9ACYP2C19ALDH1A1 | |
| SCHEMBL21100933 | 0.84 | LTA4H (0.48) | SMN1; SMN2NPC1RAB9ACYP2C19ALDH1A1 | |
| SCHEMBL16900141 | 0.83 | SMN1; SMN2 (0.50) | SMN1; SMN2NPC1RAB9ACYP2C19ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-9790229-B2 | Bruton's tyrosine kinase inhibitors | SUNESIS PHARMACEUTICALS, INC. (US) | 2017-10-17 | — | — | US | disclosed |