Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.34 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | ESR1 | P03372 | 3/20 | 0.31 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | SGMS2 | Q8NHU3 | 1/20 | 0.31 |
| ▸ | CTSB | P07858 | 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 | |
|---|---|---|---|---|
| SCHEMBL7715808 | 0.87 | CYP1A1 (0.33) | CYP1A2CYP1A1CYP1B1ALDH1A1TRPA1 | |
| SCHEMBL7715791 | 0.84 | CTSL (0.34) | CYP1A2CYP1A1CYP1B1ALDH1A1TRPA1 | |
| SCHEMBL7711148 | 0.80 | ESR1 (0.36) | CYP1A2CYP1A1CYP1B1ALDH1A1TRPA1 | |
| SCHEMBL7710948 | 0.79 | CYP1A1 (0.36) | CYP1A2CYP1A1CYP1B1ALDH1A1TRPA1 | |
| SCHEMBL953215 | 0.79 | IDO1 (0.38) | ALDH1A1TRPA1CYP3A4 | |
| SCHEMBL7717092 | 0.79 | ESR2 (0.46) | CYP1A2CYP1A1CYP1B1ALDH1A1TRPA1 | |
| SCHEMBL4138269 | 0.77 | ALDH1A1 (0.44) | CYP1A2ALDH1A1MEN1KMT2AESR1 | |
| SCHEMBL7257386 | 0.77 | TSHR (0.39) | ALDH1A1TRPA1TSHRLMNAESR1 | |
| SCHEMBL29061975 | 0.76 | HPGD (0.44) | CYP1A2ALDH1A1TSHRMEN1KMT2A | |
| SCHEMBL29061977 | 0.76 | AOC3 (0.40) | KMT2A |
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 |