Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 7/20 | 0.44 |
| ▸ | ESR2 | Q92731 | 7/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL7711148 | 0.81 | ESR1 (0.36) | ESR1ESR2ALDH1A1CYP1A2TRPA1 | |
| SCHEMBL4413894 | 0.78 | ESR1 (0.44) | ESR1ESR2ALDH1A1MEN1KMT2A | |
| SCHEMBL6883659 | 0.77 | ALDH1A1 (0.48) | ESR1ESR2ALDH1A1MEN1CYP1A2 | |
| SCHEMBL7717092 | 0.77 | ESR2 (0.46) | ESR1ESR2ALDH1A1MEN1CYP1A2 | |
| SCHEMBL7716670 | 0.76 | ESR2 (0.36) | ESR1ESR2ALDH1A1MEN1CYP1A2 | |
| SCHEMBL7716790 | 0.70 | ESR2 (0.43) | ESR1ESR2ALDH1A1MEN1CYP1A2 | |
| SCHEMBL7717084 | 0.70 | ESR2 (0.43) | ESR1ESR2ALDH1A1MEN1CYP1A2 | |
| SCHEMBL11546302 | 0.70 | UGT2B7 (0.47) | ESR1ESR2MEN1CYP1A2CYP3A4 | |
| SCHEMBL7711122 | 0.69 | ESR2 (0.34) | ESR1ESR2ALDH1A1MEN1CYP1A2 | |
| SCHEMBL7717085 | 0.68 | ESR2 (0.36) | ESR1ESR2ALDH1A1MEN1CYP1A2 |
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-6376512-B1 | FOR TREATING PHYSIOLOGICAL CONDITION IN PATIENT WHEREIN SAID CONDITION IS ASSOCIATED WITH A PHYSIOLOGICALLY DETRIMENTAL LEVELS OF INSULIN, GLUCOSE, FREE FATTY ACIDS, OR TRIGLYCERIDES | AVENTIS PHARMA DEUTSCHLAND GMBH (DE) | 2002-04-23 | — | — | US | disclosed |
| US-5059610-A | QUINOLINE DERIVATIVES AND THEIR USE AS ANTAGONISTS OF LEUKOTRIENE D4 | RHONE-POULENC RORER PHARMACEUTICALS INC. (US) | 1991-10-22 | — | — | US | disclosed |
| US-4920132-A | Quinoline derivatives and use thereof as antagonists of leukotriene D4 | RORER PHARMACEUTICAL CORP. (US) | 1990-04-24 | — | — | US | disclosed |