Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 10/20 | 0.90 |
| ▸ | TSHR | P16473 | 3/20 | 0.90 |
| ▸ | LMNA | P02545 | 3/20 | 0.90 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.90 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.90 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.90 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.90 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.90 |
| ▸ | RNASEL | Q05823 | 1/20 | 0.90 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.90 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.72 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.72 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.72 |
| ▸ | KDR | P35968 | 1/20 | 0.72 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.72 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.66 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.66 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.66 |
| ▸ | CA12 | O43570 | 1/20 | 0.61 |
| ▸ | CA1 | P00915 | 1/20 | 0.61 |
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 | |
|---|---|---|---|---|
| SCHEMBL9300044 | 0.95 | ESR1 (0.81) | ESR1TSHRLMNACYP1A2CYP2C19 | |
| Butylparaben SCHEMBL3647 | 0.95 | ESR1 (1.00) | ESR1TSHRLMNACYP1A2CYP2C19 | |
| Butylparaben SCHEMBL5789201 | 0.95 | ESR1 (1.00) | ESR1TSHRLMNACYP1A2CYP2C19 | |
| SCHEMBL9639785 | 0.94 | ESR1 (0.79) | ESR1TSHRLMNACYP1A2CYP2C19 | |
| SCHEMBL9300662 | 0.94 | ESR1 (0.79) | ESR1TSHRLMNACYP1A2CYP2C19 | |
| SCHEMBL8375812 | 0.94 | ESR1 (0.79) | ESR1TSHRLMNACYP1A2CYP2C19 | |
| SCHEMBL7697420 | 0.94 | ESR1 (0.79) | ESR1TSHRLMNACYP1A2CYP2C19 | |
| Butylparaben SCHEMBL761983 | 0.93 | ESR1 (0.96) | ESR1TSHRLMNACYP1A2CYP2C19 | |
| Butylparaben SCHEMBL9172319 | 0.93 | ESR1 (0.96) | ESR1TSHRLMNACYP1A2CYP2C19 | |
| Butylparaben SCHEMBL2325184 | 0.93 | ESR1 (0.96) | ESR1TSHRLMNACYP1A2CYP2C19 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4276092-A1 | COMPOUND LIBRARY | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 2023-11-15 | — | — | EP | disclosed |
| WO-2022149617-A1 | COMPOUND LIBRARY | 中外製薬株式会社 | 2022-07-14 | — | — | WO | disclosed |
| US-5298593-A | Polymerization of ester monomer, aromatic dicarboxylic acid, and oxyaromatic carboxylic acid | MITSUBISHI PETROCHEMICAL COMPANY, LTD. (JP) | 1994-03-29 | — | — | US | disclosed |
| EP-0520428-A2 | Method of producing thermotropic liquid crystalline polyester | MITSUBISHI CHEMICAL CORPORATION (JP) | 1992-12-30 | — | — | EP | disclosed |