Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 4/20 | 0.40 |
| ▸ | GABRB2 | P47870 | 4/20 | 0.40 |
| ▸ | TSHR | P16473 | 3/20 | 0.39 |
| ▸ | AR | P10275 | 1/20 | 0.36 |
| ▸ | PLAU | P00749 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | MAP2K1 | Q02750 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL6457244 | 0.85 | AR (0.39) | TSHRARPLAUALDH1A1MAP2K1 | |
| SCHEMBL9686928 | 0.82 | TLR8 (0.41) | TSHRALDH1A1MAPTHTT | |
| SCHEMBL26463373 | 0.82 | PNMT (0.39) | TSHRPLAUCA1CA2ALDH1A1 | |
| SCHEMBL4247247 | 0.80 | TLR8 (0.42) | TSHR | |
| SCHEMBL9685552 | 0.80 | CHRNE (0.37) | TSHRPLAUCA1CA2ALDH1A1 | |
| SCHEMBL10798754 | 0.80 | PLAU (0.36) | TSHRPLAUCA1CA2ALDH1A1 | |
| SCHEMBL9686635 | 0.79 | GABRA1 (0.46) | GABRA1GABRB2TSHRPLAUALDH1A1 | |
| Isobutane SCHEMBL28311933 | 0.79 | TSHR (0.35) | TSHRPLAUALDH1A1MAPTMAP2K1 | |
| SCHEMBL21883584 | 0.79 | BID (0.44) | TSHRMAPTKDM4E | |
| SCHEMBL106062 | 0.79 | TSHR (0.50) | GABRA1GABRB2TSHRARCA1 |
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 |