Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | SPHK1 | Q9NYA1 | 7/20 | 0.35 |
| ▸ | SPHK2 | Q9NRA0 | 4/20 | 0.35 |
| ▸ | GNAI3 | P08754 | 2/20 | 0.34 |
| ▸ | GNAO1 | P09471 | 2/20 | 0.34 |
| ▸ | GNAI1 | P63096 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | THRB | P10828 | 1/20 | 0.31 |
| ▸ | S1PR2 | O95136 | 1/20 | 0.30 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.30 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.30 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.30 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
| ▸ | DNM1 | Q05193 | 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 | |
|---|---|---|---|---|
| SCHEMBL23645798 | 0.92 | CYP1A2 (0.35) | CYP1A2 | |
| SCHEMBL17351132 | 0.71 | ALDH1A1 (0.41) | EPHX1ALDH1A1SPHK1SPHK2TSHR | |
| SCHEMBL17351083 | 0.71 | EPHX1 (0.39) | EPHX1ALDH1A1SPHK1CYP1A2S1PR2 | |
| Ammonia Solution, Strong SCHEMBL8882238 | 0.68 | EPHX1 (0.41) | EPHX1ALDH1A1CYP1A2TSHRTHRB | |
| SCHEMBL673896 | 0.68 | ALDH1A1 (0.39) | EPHX1ALDH1A1SPHK1TSHRTHRB | |
| SCHEMBL17351007 | 0.68 | TDP1 (0.43) | EPHX1ALDH1A1SPHK1CYP1A2S1PR2 | |
| SCHEMBL11033685 | 0.68 | ALDH1A1 (0.41) | EPHX1ALDH1A1CYP1A2TSHRTHRB | |
| SCHEMBL22471680 | 0.67 | ALDH1A1 (0.41) | EPHX1ALDH1A1SPHK1SPHK2TSHR | |
| SCHEMBL23645804 | 0.67 | SPHK1 (0.44) | SPHK1SPHK2 | |
| SCHEMBL548102 | 0.67 | EPHX1 (0.39) | EPHX1ALDH1A1SPHK1SPHK2CYP1A2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2625190-B1 | DERIVATIVES OF STEROID BENZYLAMINES, HAVING AN ANTIPARASITIC, ANTIBACTERIAL, ANTIMYCOTIC AND/OR ANTIVIRAL ACTION | UNIV JUSTUS LIEBIG GIESSEN (DE) | 2021-07-14 | — | — | EP | disclosed |