Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.44 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.44 |
| ▸ | P2RY6 | Q15077 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | MIF | P14174 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP4Z1 | Q86W10 | 1/20 | 0.33 |
| ▸ | CYP4F11 | Q9HBI6 | 1/20 | 0.33 |
| ▸ | CYP4F12 | Q9HCS2 | 1/20 | 0.33 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.32 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.32 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.32 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.32 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.32 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL30604640 | 1.00 | ESR1 (0.44) | ESR1ESR2P2RY6ALDH1A1LMNA | |
| SCHEMBL484214 | 1.00 | ESR1 (0.44) | ESR1ESR2P2RY6ALDH1A1LMNA | |
| SCHEMBL11514099 | 0.87 | ALDH1A1 (0.41) | ESR1ESR2P2RY6ALDH1A1LMNA | |
| SCHEMBL349237 | 0.85 | P2RY6 (0.37) | P2RY6ALDH1A1LMNAMIFCYP3A4 | |
| SCHEMBL6896659 | 0.81 | CYP3A4 (0.55) | P2RY6ALDH1A1LMNACYP3A4CYP1A2 | |
| SCHEMBL29379077 | 0.81 | CYP3A4 (0.48) | ESR1ESR2ALDH1A1CYP3A4CYP1A2 | |
| SCHEMBL29565064 | 0.81 | CYP3A4 (0.48) | ESR1ESR2ALDH1A1CYP3A4CYP1A2 | |
| SCHEMBL15357 | 0.81 | CYP3A4 (0.48) | ESR1ESR2ALDH1A1CYP3A4CYP1A2 | |
| SCHEMBL30421135 | 0.78 | NPC1 (0.46) | ALDH1A1LMNAMIFCYP3A4CYP1A2 | |
| SCHEMBL945304 | 0.78 | NPC1 (0.46) | ALDH1A1LMNAMIFCYP3A4CYP1A2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0378895-B1 | A MERCAPTO COMPOUND, A HIGH REFRACTIVE INDEX RESIN AND LENS AND A PROCESS FOR PREPARING THEM | MITSUI TOATSU CHEMICALS, Inc. (JP) | 1993-07-14 | — | — | EP | disclosed |
| US-5191055-A | Polythiourethanes | MITSUI TOATSU CHEMICALS, INC. (JP) | 1993-03-02 | — | — | US | disclosed |
| US-5087758-A | Polythiourethane monomer | MITSUI TOATSU CHEMICALS, INC. (JP) | 1992-02-11 | — | — | US | disclosed |