Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 2/20 | 0.52 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | HTR1A | P08908 | 2/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | TP53 | P04637 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | ACHE | P22303 | 1/20 | 0.44 |
| ▸ | HTR2C | P28335 | 1/20 | 0.43 |
| ▸ | HTR7 | P34969 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL3761876 | 0.76 | CYP19A1 (0.80) | CYP19A1SIGMAR1HTR1AACHE | |
| SCHEMBL30275056 | 0.76 | CYP19A1 (0.80) | CYP19A1SIGMAR1HTR1AACHE | |
| SCHEMBL28733987 | 0.76 | CYP19A1 (0.80) | CYP19A1SIGMAR1HTR1AACHE | |
| SCHEMBL7311311 | 0.76 | CYP19A1 (0.56) | CYP19A1SIGMAR1ALDH1A1HTR1ASMN1; SMN2 | |
| SCHEMBL8643063 | 0.75 | CYP19A1 (0.49) | CYP19A1SIGMAR1ALDH1A1HTR1ASMN1; SMN2 | |
| SCHEMBL6694407 | 0.72 | CYP19A1 (0.61) | CYP19A1SIGMAR1ALDH1A1HTR1ASMN1; SMN2 | |
| SCHEMBL6689014 | 0.72 | CYP19A1 (0.61) | CYP19A1SIGMAR1ALDH1A1HTR1ASMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL7706186 | 0.72 | ALDH1A1 (0.80) | CYP19A1SIGMAR1ALDH1A1HTR1ASMN1; SMN2 | |
| SCHEMBL27532854 | 0.72 | ALDH1A1 (0.52) | CYP19A1SIGMAR1ALDH1A1HTR1ASMN1; SMN2 | |
| SCHEMBL7672871 | 0.72 | CYP19A1 (0.57) | CYP19A1SIGMAR1ALDH1A1HTR1ASMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0530198-A1 | HETEROCYCLIC COMPOUNDS AS ALDOSE REDUCTASE INHIBITORS | PFIZER INC. (US) | 1993-03-10 | — | — | EP | disclosed |
| WO-1991015491-A1 | HETEROCYCLIC COMPOUNDS AS ALDOSE REDUCTASE INHIBITORS | PFIZER INC. (US) | 1991-10-17 | — | — | WO | disclosed |