Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | DRD2 | P14416 | 1/20 | 0.41 |
| ▸ | DRD4 | P21917 | 1/20 | 0.41 |
| ▸ | DRD3 | P35462 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.41 |
| ▸ | DHFR | P00374 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | HEXA | P06865 | 1/20 | 0.41 |
| ▸ | HEXB | P07686 | 1/20 | 0.41 |
| ▸ | HTR1A | P08908 | 1/20 | 0.41 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL27787586 | 0.85 | ALDH1A1 (0.40) | ALDH1A1CYP1A2CYP3A4CYP2D6TSHR | |
| SCHEMBL12377638 | 0.78 | MAPT (0.48) | ALDH1A1CYP1A2CYP3A4CYP2D6TSHR | |
| SCHEMBL10668168 | 0.76 | SMN1; SMN2 (0.44) | ALDH1A1CYP1A2CYP3A4CYP2D6TSHR | |
| SCHEMBL27809486 | 0.75 | FFAR4 (0.40) | ALDH1A1CYP1A2CYP3A4CYP2D6TSHR | |
| SCHEMBL1686242 | 0.71 | TARBP2 (0.56) | ALDH1A1SMN1; SMN2TP53MAPTKDM4E | |
| SCHEMBL1686250 | 0.70 | ALOX5 (0.53) | ALDH1A1SMN1; SMN2MAPTKDM4EFFAR4 | |
| SCHEMBL7020866 | 0.69 | — | — | |
| Hydrochloric Acid SCHEMBL8378886 | 0.68 | ALDH1A1 (0.38) | ALDH1A1CYP1A2CYP3A4CYP2D6TSHR | |
| SCHEMBL5443475 | 0.68 | TRPV1 (0.44) | LMNAMEN1KMT2AMAPTKDM4E | |
| SCHEMBL5447673 | 0.68 | NOTUM (0.49) | ALDH1A1SMN1; SMN2MEN1KMT2ANR1H4 |
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-2185530-A1 | 5-PHENYL-ISOXAZOLE-3-CARBOXAMIDE DERIVATIVES AS TRPV1 MODULATORS | N.V. Organon (NL) | 2010-05-19 | — | — | EP | disclosed |
| WO-2009016241-A1 | 5-PHENYL-ISOXAZOLE-3-CARBOXAMIDE DERIVATIVES AS TRPV1 MODULATORS | N.V. ORGANON (NL) | 2009-02-05 | — | — | WO | disclosed |