Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 5/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.48 |
| ▸ | LMNA | P02545 | 2/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | PGR | P06401 | 1/20 | 0.48 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.48 |
| ▸ | AR | P10275 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.48 |
| ▸ | DRD1 | P21728 | 1/20 | 0.48 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.48 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.48 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| Propylene Glycol SCHEMBL10345908 | 0.85 | ESR1 (0.52) | ESR1TDP1LMNACYP2C9ALOX15 | |
| SCHEMBL74326 | 0.84 | ESR1 (0.65) | ESR1TDP1LMNACYP2C9ALOX15 | |
| Hydroquinone SCHEMBL28097256 | 0.84 | ESR1 (0.65) | ESR1TDP1LMNACYP2C9ALOX15 | |
| SCHEMBL1171043 | 0.84 | ESR1 (0.65) | ESR1TDP1LMNACYP2C9ALOX15 | |
| Propane SCHEMBL28264453 | 0.82 | ESR1 (0.62) | ESR1TDP1LMNACYP2C9ALOX15 | |
| Benzene SCHEMBL28219933 | 0.82 | ESR1 (0.62) | ESR1TDP1LMNACYP2C9ALOX15 | |
| SCHEMBL28544659 | 0.82 | ESR1 (0.62) | ESR1TDP1LMNACYP2C9ALOX15 | |
| 1,4-Butanediol SCHEMBL11501486 | 0.79 | ESR1 (0.54) | ESR1TDP1LMNACYP2C9ALOX15 | |
| SCHEMBL361522 | 0.79 | ALOX15 (0.54) | ESR1TDP1LMNACYP2C9ALOX15 | |
| SCHEMBL361277 | 0.78 | LMNA (0.58) | ESR1TDP1LMNACYP2C9ALOX15 |
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 |
|---|---|---|---|---|---|---|---|
| US-4310633-A | Hexahydrotriazine carboxylates and the use thereof as catalysts in the production of polyisocyanurate plastics | BAYER AKTIENGESELLSCHAFT (DE) | 1982-01-12 | — | — | US | disclosed |
| US-4260754-A | Hexahydrotriazine carboxylates and the use thereof as catalysts in the production of polyisocyanurate plastics | BAYER AKTIENGESELLSCHAFT (DE) | 1981-04-07 | — | — | US | disclosed |
| US-4251427-A | Coating compositions from polyurethanes containing a molecular sieve of the sodium aluminum silicate type | BAYER AKTIENGESELLSCHAFT (DE) | 1981-02-17 | — | — | US | disclosed |