Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | MMP3 | P08254 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | HCAR1 | Q9BXC0 | 1/20 | 0.36 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.35 |
| ▸ | ACHE | P22303 | 3/20 | 0.34 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.32 |
| ▸ | PGK1 | P00558 | 1/20 | 0.32 |
| ▸ | PGK2 | P07205 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | ESR1 | P03372 | 1/20 | 0.31 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.31 |
| ▸ | SELL | P14151 | 1/20 | 0.31 |
| ▸ | SELP | P16109 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL1823353 | 0.84 | KDM4E (0.43) | ALDH1A1MMP3KDM4ETDP1ENPP2 | |
| SCHEMBL2262582 | 0.84 | KDM4E (0.43) | MMP3KDM4ETDP1ENPP2THRB | |
| SCHEMBL1050898 | 0.84 | ACHE (0.48) | MMP3KDM4ETDP1ENPP2ACHE | |
| SCHEMBL12883530 | 0.77 | KDM4E (0.38) | MMP3KDM4ETDP1ENPP2THRB | |
| SCHEMBL25170271 | 0.75 | CA12 (0.48) | MMP3KDM4ETDP1HCAR1ENPP2 | |
| SCHEMBL10222056 | 0.75 | KDM4E (0.37) | MMP3KDM4ETDP1ENPP2THRB | |
| SCHEMBL306934 | 0.75 | TACR1 (0.37) | ALDH1A1MMP3KDM4ETDP1ENPP2 | |
| SCHEMBL21507689 | 0.75 | ALDH1A1 (0.50) | ALDH1A1MMP3KDM4ETDP1ENPP2 | |
| SCHEMBL20576683 | 0.75 | KDM4E (0.37) | MMP3KDM4ETDP1ENPP2ACHE | |
| SCHEMBL641274 | 0.75 | KDM4E (0.37) | MMP3KDM4ETDP1ENPP2THRB |
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 |