Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.44 |
| ▸ | ESR1 | P03372 | 4/20 | 0.44 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.44 |
| ▸ | MEN1 | O00255 | 3/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.42 |
| ▸ | GAA | P10253 | 2/20 | 0.42 |
| ▸ | CNR1 | P21554 | 4/20 | 0.41 |
| ▸ | CNR2 | P34972 | 4/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.38 |
| ▸ | TSHR | P16473 | 4/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.35 |
| ▸ | BLM | P54132 | 2/20 | 0.35 |
| ▸ | ATM | Q13315 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL30255512 | 0.95 | MEN1 (0.49) | ALDH1A1ESR1ESR2CYP3A4MEN1 | |
| SCHEMBL26071953 | 0.95 | MEN1 (0.49) | ALDH1A1ESR1ESR2CYP3A4MEN1 | |
| SCHEMBL1276281 | 0.80 | ESR1 (0.57) | ALDH1A1ESR1ESR2CYP3A4CNR1 | |
| Phenol SCHEMBL28274107 | 0.79 | MEN1 (0.53) | ALDH1A1CYP3A4MEN1KMT2AGAA | |
| SCHEMBL19056632 | 0.76 | PTGS2 (0.47) | ALDH1A1ESR1CYP3A4CNR1CNR2 | |
| SCHEMBL11556141 | 0.75 | PTPN1 (0.52) | ALDH1A1ESR1ESR2CYP3A4MEN1 | |
| SCHEMBL1276539 | 0.75 | CA2 (0.56) | ALDH1A1ESR1ESR2CYP3A4KMT2A | |
| SCHEMBL98076 | 0.75 | ALDH1A1 (0.59) | ALDH1A1CYP3A4MEN1KMT2AGAA | |
| SCHEMBL1262470 | 0.75 | ALDH1A1 (0.52) | ALDH1A1ESR1ESR2CYP3A4MEN1 | |
| SCHEMBL28041166 | 0.75 | SHBG (0.46) | ALDH1A1ESR1ESR2CYP3A4MEN1 |
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 |
|---|---|---|---|---|---|---|---|
| US-4308407-A | Chemical process | ETHYL CORPORATION (US) | 1981-12-29 | — | — | US | disclosed |