Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.33 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.33 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.33 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | DRD1 | P21728 | 1/20 | 0.33 |
| ▸ | HRH2 | P25021 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | HTR2C | P28335 | 1/20 | 0.33 |
| ▸ | HRH1 | P35367 | 1/20 | 0.33 |
| ▸ | DRD3 | P35462 | 1/20 | 0.33 |
| ▸ | SCN1A | P35498 | 1/20 | 0.33 |
| ▸ | THPO | P40225 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL11241913 | 1.00 | CYP3A4 (0.33) | CYP3A4CHRM2CHRM4CHRM1CHRM3 | |
| SCHEMBL7144770 | 0.77 | — | — | |
| SCHEMBL11793755 | 0.71 | F7 (0.33) | TSHR | |
| SCHEMBL11786177 | 0.71 | F7 (0.33) | TSHR | |
| SCHEMBL10486257 | 0.69 | ALDH1A1 (0.32) | — | |
| SCHEMBL11246191 | 0.69 | TDP1 (0.32) | TDP1 | |
| SCHEMBL11246186 | 0.69 | TDP1 (0.32) | TDP1 | |
| SCHEMBL25026105 | 0.68 | ALDH1A1 (0.36) | — | |
| SCHEMBL21338912 | 0.68 | ALDH1A1 (0.36) | — | |
| SCHEMBL11851791 | 0.68 | ALDH1A1 (0.36) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0001900-B1 | 9-THIA-12-AZAPROSTANOIC ACID DERIVATIVES AND COMPOSITIONS CONTAINING THEM | MERCK & CO. INC. (US) | 1982-04-07 | — | — | EP | disclosed |
| US-4225609-A | Interphenylene 9-thia-11-oxo-12-aza-prostanoic acids | MERCK & CO., INC. (US) | 1980-09-30 | — | — | US | disclosed |
| EP-0001900-A1 | 9-Thia-12-azaprostanoic acid derivatives and compositions containing them | MERCK & CO. INC. (US) | 1979-05-16 | — | — | EP | disclosed |