Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 3/20 | 0.62 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.53 |
| ▸ | LMNA | P02545 | 1/20 | 0.53 |
| ▸ | POLB | P06746 | 1/20 | 0.53 |
| ▸ | MAPT | P10636 | 1/20 | 0.53 |
| ▸ | ACHE | P22303 | 1/20 | 0.51 |
| ▸ | HTR2C | P28335 | 2/20 | 0.46 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.42 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.42 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.42 |
| ▸ | DRD2 | P14416 | 2/20 | 0.40 |
| ▸ | DRD3 | P35462 | 1/20 | 0.40 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL8873437 | 0.87 | CYP19A1 (0.60) | CYP19A1KDM4ELMNAPOLBMAPT | |
| SCHEMBL8597901 | 0.87 | CYP19A1 (0.60) | CYP19A1KDM4ELMNAPOLBMAPT | |
| SCHEMBL8673226 | 0.87 | CYP19A1 (0.60) | CYP19A1KDM4ELMNAPOLBMAPT | |
| SCHEMBL8671806 | 0.85 | CYP19A1 (0.58) | CYP19A1KDM4ELMNAPOLBMAPT | |
| SCHEMBL15700133 | 0.85 | CYP19A1 (0.67) | CYP19A1KDM4ELMNAPOLBMAPT | |
| SCHEMBL8672738 | 0.84 | CYP19A1 (0.57) | CYP19A1KDM4ELMNAPOLBMAPT | |
| Hydrochloric Acid SCHEMBL5459542 | 0.83 | CYP19A1 (0.61) | CYP19A1KDM4ELMNAPOLBMAPT | |
| SCHEMBL8875773 | 0.81 | CHRM2 (0.43) | CYP19A1HTR2CCHRM2CHRM1CHRM3 | |
| SCHEMBL3822324 | 0.81 | CYP19A1 (0.62) | CYP19A1KDM4ELMNAPOLBMAPT | |
| SCHEMBL7517153 | 0.80 | MAPT (0.58) | CYP19A1KDM4ELMNAPOLBMAPT |
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 |
|---|---|---|---|---|---|---|---|
| US-5646173-A | ANTISEROTONINE AGENTS; CENTRAL NERVOUS SYSTEM DISORDERS; ANTIDEPRESSANTS | HOFFMANN-LA ROCHE INC. (US) | 1997-07-08 | — | — | US | disclosed |
| EP-0658550-A2 | Amino acid salts of and methods for preparing antihypercholesterolemic tetrazole compounds | BRISTOL-MYERS SQUIBB COMPANY (US) | 1995-06-21 | — | — | EP | disclosed |
| EP-0657426-A2 | Tricyclic pyrrole derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 1995-06-14 | — | — | EP | disclosed |