Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 12/20 | 0.74 |
| ▸ | CXCR3 | P49682 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | MMP1 | P03956 | 1/20 | 0.35 |
| ▸ | MMP2 | P08253 | 1/20 | 0.35 |
| ▸ | MMP9 | P14780 | 1/20 | 0.35 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.35 |
| ▸ | AR | P10275 | 1/20 | 0.35 |
| ▸ | PDE4A | P27815 | 1/20 | 0.35 |
| ▸ | SCN1A | P35498 | 1/20 | 0.35 |
| ▸ | SCN4A | P35499 | 1/20 | 0.35 |
| ▸ | SCN7A | Q01118 | 1/20 | 0.35 |
| ▸ | CACNA1D | Q01668 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | CACNA1S | Q13698 | 1/20 | 0.35 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.35 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.35 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.35 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL9410342 | 0.87 | CYP19A1 (0.57) | CYP19A1CYP2D6ALDH1A1HPGD | |
| SCHEMBL10531988 | 0.85 | CYP19A1 (1.00) | CYP19A1 | |
| SCHEMBL10532357 | 0.80 | CYP19A1 (0.67) | CYP19A1ALDH1A1HPGD | |
| SCHEMBL11078445 | 0.79 | CYP19A1 (0.71) | CYP19A1CXCR3SMN1; SMN2ALDH1A1 | |
| SCHEMBL11463156 | 0.74 | CYP19A1 (0.48) | CYP19A1SMN1; SMN2ALDH1A1 | |
| SCHEMBL8968925 | 0.74 | CYP19A1 (0.82) | CYP19A1SMN1; SMN2ALDH1A1 | |
| SCHEMBL8969269 | 0.72 | CYP19A1 (0.62) | CYP19A1SMN1; SMN2ALDH1A1 | |
| SCHEMBL11081758 | 0.72 | CYP19A1 (0.76) | CYP19A1ALDH1A1 | |
| SCHEMBL9410346 | 0.72 | CYP19A1 (0.64) | CYP19A1CXCR3SMN1; SMN2ALDH1A1HPGD | |
| SCHEMBL11085254 | 0.67 | CYP19A1 (0.51) | CYP19A1SMN1; SMN2CYP2D6CACNA1FSCN1A |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4435419-A | Method of treating depression using azabicyclohexanes | AMERICAN CYANAMID COMPANY (US) | 1984-03-06 | — | — | US | disclosed |
| US-4231935-A | ANXIOLYTICS AND ANALGESICS | AMERICAN CYANAMID COMPANY (US) | 1980-11-04 | — | — | US | disclosed |
| US-4196120-A | 1,2-BIS(HYDROCARBYLSULFONYLOXY OR HALO METHYL)CYCLOPROPYLBENZENE, OPTICAL ACITIVITY ANALGESICS | AMERICAN CYANAMID COMPANY (US) | 1980-04-01 | — | — | US | disclosed |
| US-4131611-A | ANXIOLYTIC, ANALGESIC | AMERICAN CYANAMID COMPANY (US) | 1978-12-26 | — | — | US | disclosed |