Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.46 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.43 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.43 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.43 |
| ▸ | APLNR | P35414 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.39 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 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 | |
|---|---|---|---|---|
| SCHEMBL29056014 | 0.84 | ALDH1A1 (0.50) | ALDH1A1CYP19A1PTGS2CYP1A1CYP1B1 | |
| SCHEMBL3061892 | 0.81 | ALDH1A1 (0.46) | ALDH1A1CYP19A1CYP1A1CYP1B1CA12 | |
| SCHEMBL16235569 | 0.81 | ALDH1A1 (0.46) | ALDH1A1CYP19A1CYP1A1CYP1B1CA12 | |
| SCHEMBL6011474 | 0.80 | TAAR1 (0.53) | ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL2377998 | 0.78 | APLNR (0.58) | ALDH1A1PTGS2APLNRCA12CA1 | |
| SCHEMBL2336343 | 0.77 | TAS2R14 (0.43) | MEN1KMT2ACYP1A2 | |
| SCHEMBL24581571 | 0.76 | PTGS2 (0.50) | ALDH1A1CYP19A1PTGS2CYP1A1CYP1B1 | |
| SCHEMBL4529293 | 0.75 | ALDH1A1 (0.44) | ALDH1A1CYP19A1PTGS2CYP1A1CYP1B1 | |
| SCHEMBL2376702 | 0.75 | PTGS2 (0.55) | CYP19A1PTGS2CA12CA1CA2 | |
| SCHEMBL8214823 | 0.72 | ALDH1A1 (0.41) | ALDH1A1CYP19A1PTGS2CYP1A1CYP1B1 |
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-0007515-B1 | 7A-METHYL ESTROGENS AND PROCESS FOR THEIR PREPARATION AND THEIR USE IN FURTHER PROCESSING | SCHERING AKTIENGESELLSCHAFT (DE) | 1982-03-10 | — | — | EP | disclosed |
| EP-0007515-A1 | 7a-methyl estrogens and process for their preparation and their use in further processing | SCHERING AKTIENGESELLSCHAFT (DE) | 1980-02-06 | — | — | EP | disclosed |