Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 12/20 | 0.71 |
| ▸ | BACE1 | P56817 | 2/20 | 0.40 |
| ▸ | BACE2 | Q9Y5Z0 | 2/20 | 0.40 |
| ▸ | CTSD | P07339 | 1/20 | 0.40 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.40 |
| ▸ | WDR77 | Q9BQA1 | 1/20 | 0.40 |
| ▸ | CXCR3 | P49682 | 1/20 | 0.40 |
| ▸ | REN | P00797 | 1/20 | 0.39 |
| ▸ | APP | P05067 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL11076987 | 0.83 | CYP19A1 (0.72) | CYP19A1BACE1BACE2CTSDALDH1A1 | |
| SCHEMBL2779577 | 0.83 | CYP19A1 (1.00) | CYP19A1 | |
| SCHEMBL6002297 | 0.83 | CYP19A1 (0.72) | CYP19A1BACE1ALDH1A1 | |
| SCHEMBL6003692 | 0.82 | CYP19A1 (0.57) | CYP19A1BACE1BACE2CTSD | |
| SCHEMBL10532320 | 0.81 | CYP19A1 (0.68) | CYP19A1ALDH1A1TSHRSMN1; SMN2 | |
| SCHEMBL10530117 | 0.81 | CYP19A1 (0.68) | CYP19A1 | |
| SCHEMBL11762657 | 0.80 | CYP19A1 (0.48) | CYP19A1BACE1BACE2CTSDPRMT5 | |
| SCHEMBL6003496 | 0.80 | CYP19A1 (0.67) | CYP19A1 | |
| SCHEMBL11079440 | 0.79 | CYP19A1 (0.55) | CYP19A1BACE1BACE2CTSDPRMT5 | |
| SCHEMBL11079959 | 0.79 | CYP19A1 (0.74) | CYP19A1CXCR3ALDH1A1SMN1; SMN2 |
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 |