Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 2/20 | 0.58 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.58 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.39 |
| ▸ | PPARG | P37231 | 1/20 | 0.37 |
| ▸ | PPARA | Q07869 | 1/20 | 0.37 |
| ▸ | PTGS2 | P35354 | 4/20 | 0.37 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.37 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.37 |
| ▸ | CXCR1 | P25024 | 2/20 | 0.37 |
| ▸ | CXCR2 | P25025 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | ALB | P02768 | 1/20 | 0.37 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL30385102 | 0.82 | ESR1 (0.50) | ESR1ESR2CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL17679434 | 0.81 | ALDH1A1 (0.54) | CYP2C9TSHRALDH1A1 | |
| SCHEMBL10203858 | 0.81 | ALDH1A1 (0.54) | CYP2C9TSHRALDH1A1 | |
| SCHEMBL10493597 | 0.79 | LMNA (0.55) | ESR1ESR2CYP1A2LMNATSHR | |
| SCHEMBL10338355 | 0.79 | CYP1A2 (0.63) | ESR1ESR2CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL10596769 | 0.78 | ESR1 (0.50) | ESR1ESR2PPARGPPARATSHR | |
| SCHEMBL5433337 | 0.78 | LTA4H (0.47) | ESR1ESR2CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL10977168 | 0.77 | PARP10 (0.48) | CYP1A2CYP2D6CYP2C19POLBLMNA | |
| SCHEMBL17961880 | 0.77 | PARP10 (0.48) | CYP1A2CYP2D6CYP2C19POLBLMNA | |
| SCHEMBL97898 | 0.77 | PARP10 (0.48) | CYP1A2CYP2D6CYP2C19POLBLMNA |
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-0415728-A2 | Process for preparing blow molded articles | MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) | 1991-03-06 | — | — | EP | disclosed |
| US-4417011-A | UNSATURATED POLYESTER | MITSUI TOATSU CHEMICALS, INC. (JP) | 1983-11-22 | — | — | US | disclosed |