Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 1/20 | 0.47 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.44 |
| ▸ | THRB | P10828 | 2/20 | 0.44 |
| ▸ | THRA | P10827 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | PTGES | O14684 | 2/20 | 0.42 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 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 | |
|---|---|---|---|---|
| SCHEMBL8920560 | 0.95 | CYP2C9 (0.45) | HDAC1HDAC2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL2703373 | 0.92 | CYP2C9 (0.48) | HDAC1HDAC2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL4630948 | 0.91 | CYP2C9 (0.47) | HDAC1HDAC2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL2704870 | 0.87 | CYP2C9 (0.49) | HDAC1HDAC2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL1243273 | 0.87 | HDAC1 (0.58) | HDAC1HDAC2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL4629380 | 0.85 | HDAC1 (0.61) | HDAC1HDAC2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL10300267 | 0.85 | THRB (0.55) | HDAC1HDAC2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL28131997 | 0.82 | HTR6 (0.48) | CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL2704194 | 0.82 | HDAC1 (0.56) | HDAC1HDAC2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL17366555 | 0.81 | CYP2C9 (0.40) | HDAC1HDAC2CYP3A4CYP2C9CYP2C19 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0736007-A4 | NON-PEPTIDE TACHYKININ RECEPTOR ANTAGONISTS | LILLY CO ELI (US) | 1997-03-19 | — | — | EP | disclosed |
| EP-0736007-A1 | NON-PEPTIDE TACHYKININ RECEPTOR ANTAGONISTS | ELI LILLY AND COMPANY (US) | 1996-10-09 | — | — | EP | disclosed |
| WO-1995017382-A1 | NON-PEPTIDE TACHYKININ RECEPTOR ANTAGONISTS | ELI LILLY AND COMPANY (US) | 1995-06-29 | — | — | WO | disclosed |