Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 3/20 | 0.41 |
| ▸ | NPC1 | O15118 | 3/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | CRHBP | P24387 | 1/20 | 0.40 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | BRS3 | P32247 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL6943904 | 0.91 | CYP3A4 (0.44) | RAB9ANPC1SMN1; SMN2MAPTCRHBP | |
| SCHEMBL6940934 | 0.88 | CYP3A4 (0.42) | RAB9ANPC1SMN1; SMN2MAPTCYP3A4 | |
| SCHEMBL10871043 | 0.87 | CYP3A4 (0.46) | RAB9ANPC1SMN1; SMN2MAPTCRHBP | |
| SCHEMBL8480946 | 0.85 | RAB9A (0.41) | RAB9ANPC1SMN1; SMN2MAPTCRHBP | |
| SCHEMBL8477041 | 0.83 | RAB9A (0.42) | RAB9ANPC1SMN1; SMN2MAPTCYP3A4 | |
| SCHEMBL15261862 | 0.78 | CYP3A4 (0.55) | SMN1; SMN2MAPTCYP3A4CYP2C9CYP1A2 | |
| SCHEMBL8477323 | 0.75 | SMN1; SMN2 (0.42) | RAB9ANPC1SMN1; SMN2MAPTCRHBP | |
| SCHEMBL8021852 | 0.75 | CYP1A2 (0.40) | RAB9ANPC1SMN1; SMN2MAPTCRHBP | |
| SCHEMBL7472228 | 0.74 | CYP1A2 (0.38) | CYP3A4CYP2C9CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL6600354 | 0.74 | ALDH1A1 (0.45) | RAB9ANPC1SMN1; SMN2MAPTCYP3A4 |
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-5942622-A | NOVEL COMPOUNDS FOR TREATING ILLNESS RESULTING FROM ABNORMAL STIMULATION OF ENDOTHELIAL RECEPTORS; FOR EXAMPLE: 4-((6-CHLORO-1,3-BENZODIOXOL-5-YL)METHYL)-1-(CYCLOHEXYLMETHYL) -3-(2-PYRIDINYL)-1H-PYRAZOLE-5-CARBOXYLATE | HOECHST MARION ROUSSEL (FR) | 1999-08-24 | — | — | US | disclosed |