Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.56 |
| ▸ | PKM | P14618 | 2/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.56 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.56 |
| ▸ | CA12 | O43570 | 2/20 | 0.50 |
| ▸ | CA1 | P00915 | 2/20 | 0.50 |
| ▸ | CA2 | P00918 | 2/20 | 0.50 |
| ▸ | CA9 | Q16790 | 2/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | GFER | P55789 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 4/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.46 |
| ▸ | APAF1 | O14727 | 1/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.45 |
| ▸ | HPGD | P15428 | 4/20 | 0.44 |
| ▸ | HTT | P42858 | 3/20 | 0.44 |
| ▸ | MAPT | P10636 | 3/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL8821719 | 0.80 | CA12 (0.60) | ALDH1A1PKMCYP1A2CYP2C9CYP3A4 | |
| SCHEMBL2889487 | 0.80 | ALDH1A1 (0.56) | ALDH1A1PKMCYP1A2CYP2C9CYP3A4 | |
| SCHEMBL15071461 | 0.77 | ALDH1A1 (0.53) | ALDH1A1PKMCYP1A2CYP2C9CYP3A4 | |
| SCHEMBL14496519 | 0.77 | ALOX15 (0.50) | ALDH1A1PKMCYP1A2CYP2C9CYP3A4 | |
| SCHEMBL68224 | 0.76 | ALOX15 (0.54) | ALDH1A1PKMCYP1A2CYP2C9CYP3A4 | |
| SCHEMBL13219436 | 0.76 | MEN1 (0.61) | ALDH1A1PKMCYP2C9CYP3A4HIF1A | |
| Hydrochloric Acid SCHEMBL7667121 | 0.76 | ALDH1A1 (0.51) | ALDH1A1PKMCYP1A2CYP2C9CYP3A4 | |
| SCHEMBL11593064 | 0.76 | MEN1 (0.52) | ALDH1A1PKMCYP1A2CYP2C9CYP3A4 | |
| SCHEMBL12502495 | 0.76 | ALDH1A1 (0.51) | ALDH1A1PKMCYP1A2CYP2C9CYP3A4 | |
| SCHEMBL149179 | 0.74 | CA12 (0.64) | ALDH1A1PKMCYP1A2CYP2C9CYP3A4 |
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 |