Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 11/20 | 0.41 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | LTA4H | P09960 | 1/20 | 0.35 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7806410 | 0.80 | KCNN4 (0.38) | KIF11 | |
| SCHEMBL5309997 | 0.78 | MEN1 (0.42) | KIF11TAAR1KCNH2SMN1; SMN2 | |
| SCHEMBL28137897 | 0.77 | SMN1; SMN2 (0.39) | KCNH2SMN1; SMN2LTA4HCYP1A2CYP2C9 | |
| SCHEMBL30462272 | 0.76 | CYP2C9 (0.53) | KIF11TAAR1SMN1; SMN2CYP1A2CYP2C9 | |
| SCHEMBL28594469 | 0.74 | KMT2A (0.37) | KCNH2SMN1; SMN2CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL5527328 | 0.74 | TAAR1 (0.44) | KIF11TAAR1KCNH2SMN1; SMN2CYP1A2 | |
| SCHEMBL9719486 | 0.72 | TAAR1 (0.45) | KIF11TAAR1KCNH2SMN1; SMN2LTA4H | |
| SCHEMBL10875983 | 0.71 | TAAR1 (0.46) | KIF11TAAR1KCNH2SMN1; SMN2LTA4H | |
| SCHEMBL11181214 | 0.71 | KIF11 (0.56) | KIF11KCNH2SMN1; SMN2 | |
| SCHEMBL9280946 | 0.70 | MAOB (0.48) | KIF11TAAR1 |
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-1115695-A1 | (R)-CHIRAL HALOGENATED 1-SUBSTITUTEDAMINO-(N+1)-ALKANOLS USEFUL FOR INHIBITING CHOLESTERYL ESTER TRANSFER PROTEIN ACTIVITY | Monsanto Company (US) | 2001-07-18 | — | — | EP | disclosed |
| WO-2000018724-A1 | (R)-CHIRAL HALOGENATED 1-SUBSTITUTEDAMINO-(n+1)-ALKANOLS USEFUL FOR INHIBITING CHOLESTERYL ESTER TRANSFER PROTEIN ACTIVITY | MONSANTO COMPANY (US) | 2000-04-06 | — | — | WO | disclosed |