Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | CA12 | O43570 | 3/20 | 0.36 |
| ▸ | CA1 | P00915 | 3/20 | 0.36 |
| ▸ | CA2 | P00918 | 3/20 | 0.36 |
| ▸ | CA9 | Q16790 | 3/20 | 0.36 |
| ▸ | OPRM1 | P35372 | 4/20 | 0.35 |
| ▸ | OPRD1 | P41143 | 4/20 | 0.35 |
| ▸ | OPRK1 | P41145 | 4/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL14840120 | 0.83 | — | — | |
| SCHEMBL7962556 | 0.83 | CYP1A2 (0.43) | ALDH1A1CYP1A2MAPK1CA12CA1 | |
| SCHEMBL19543354 | 0.83 | CYP1A2 (0.43) | ALDH1A1CYP1A2MAPK1CA12CA1 | |
| SCHEMBL13759584 | 0.83 | CYP1A2 (0.43) | ALDH1A1CYP1A2MAPK1CA12CA1 | |
| SCHEMBL12039759 | 0.82 | ALDH1A1 (0.43) | ALDH1A1CYP1A2MAPK1CA12CA1 | |
| SCHEMBL7965040 | 0.82 | CYP1A2 (0.41) | ALDH1A1CYP1A2MAPK1CA12CA1 | |
| SCHEMBL7962848 | 0.78 | CA12 (0.35) | ALDH1A1CYP1A2MAPK1CA12CA1 | |
| SCHEMBL26138027 | 0.77 | TDP1 (0.48) | ALDH1A1CYP1A2CA12CA1CA2 | |
| SCHEMBL472095 | 0.76 | ALDH1A1 (0.43) | ALDH1A1CYP1A2MAPK1CA12CA1 | |
| SCHEMBL9945688 | 0.76 | ALDH1A1 (0.46) | ALDH1A1CYP1A2MAPK1CA12CA1 |
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-1144396-A2 | SUBSTITUTED 2-ARYLIMINO HETEROCYCLES AND COMPOSITIONS CONTAINING THEM, FOR USE AS PROGESTERONE RECEPTOR BINDING AGENTS | Bayer Corporation (US) | 2001-10-17 | — | — | EP | disclosed |
| WO-2000042031-A2 | SUBSTITUTED 2-ARYLIMINO HETEROCYCLES AND COMPOSITIONS CONTAINING THEM, FOR USE AS PROGESTERONE RECEPTOR BINDING AGENTS | BAYER CORPORATION (US) | 2000-07-20 | — | — | WO | disclosed |