Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 7/20 | 0.52 |
| ▸ | GSR | P00390 | 1/20 | 0.41 |
| ▸ | PGR | P06401 | 3/20 | 0.39 |
| ▸ | PRMT1 | Q99873 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | CYP1A1 | P04798 | 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 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP4B1 | P13584 | 1/20 | 0.39 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.39 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.39 |
| ▸ | CYP2A7 | P20853 | 1/20 | 0.39 |
| ▸ | CYP3A7 | P24462 | 1/20 | 0.39 |
| ▸ | CYP2F1 | P24903 | 1/20 | 0.39 |
| ▸ | CYP2C18 | P33260 | 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 | |
|---|---|---|---|---|
| SCHEMBL395933 | 0.84 | PGR (0.46) | PGRPRMT1CYP2A6CHRM2CHRM4 | |
| SCHEMBL2318440 | 0.82 | CYP1A1 (0.42) | KIF11PRMT1CYP1A2CYP2C19CYP1A1 | |
| SCHEMBL7319411 | 0.80 | GAA (0.50) | PRMT1CYP1A2CYP2C19KDM4EALDH1A1 | |
| SCHEMBL7325347 | 0.78 | AR (0.35) | KIF11PGRCYP1A2CYP2C19CHRM2 | |
| SCHEMBL11606898 | 0.77 | MMP3 (0.43) | KIF11PGRCYP2A6CHRM2CHRM4 | |
| SCHEMBL10555140 | 0.76 | ALDH1A1 (0.44) | PGRCYP1A2CYP2C19CYP3A4CYP2D6 | |
| SCHEMBL10463750 | 0.76 | PGR (0.44) | PGRCYP1A2CYP2C19CYP2A6CHRM2 | |
| SCHEMBL398823 | 0.76 | MMP3 (0.47) | KIF11PGRCYP2A6CHRM2CHRM4 | |
| SCHEMBL10465061 | 0.76 | ALDH1A1 (0.44) | PGRCHRM2CHRM4CHRM5CHRM1 | |
| SCHEMBL11733368 | 0.75 | ALDH1A1 (0.49) | PGRCYP2C19CYP2E1CYP3A4CYP2D6 |
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-3168224-A1 | ORGANOZINC COMPOSITION | Ludwig-Maximilians-Universität München (DE) | 2017-05-17 | — | — | EP | disclosed |
| EP-3168224-A1 | ORGANOZINC COMPOSITION | Ludwig-Maximilians-Universität München (DE) | 2017-05-17 | — | — | EP | disclosed |