Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B2 | P37059 | 1/20 | 0.77 |
| ▸ | CA12 | O43570 | 4/20 | 0.70 |
| ▸ | CA1 | P00915 | 4/20 | 0.70 |
| ▸ | CA2 | P00918 | 4/20 | 0.70 |
| ▸ | CA7 | P43166 | 4/20 | 0.70 |
| ▸ | CA9 | Q16790 | 4/20 | 0.70 |
| ▸ | CA14 | Q9ULX7 | 4/20 | 0.70 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.59 |
| ▸ | POLB | P06746 | 1/20 | 0.59 |
| ▸ | ESR1 | P03372 | 1/20 | 0.56 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.56 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.55 |
| ▸ | LMNA | P02545 | 1/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.54 |
| ▸ | MAOA | P21397 | 1/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.53 |
| ▸ | MEN1 | O00255 | 1/20 | 0.52 |
| ▸ | MAPT | P10636 | 1/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL8889070 | 0.89 | KDM4E (0.76) | HSD17B2CA12CA1CA2CA7 | |
| SCHEMBL1990526 | 0.87 | CA12 (0.70) | HSD17B2CA12CA1CA2CA7 | |
| SCHEMBL3573863 | 0.87 | HSD17B2 (0.62) | HSD17B2CA12CA1CA2CA7 | |
| SCHEMBL155638 | 0.87 | HSD17B2 (1.00) | HSD17B2CA12CA1CA2CA7 | |
| SCHEMBL17040238 | 0.86 | HSD17B2 (0.67) | HSD17B2CA12CA1CA2CA7 | |
| SCHEMBL6580057 | 0.86 | HSD17B2 (0.67) | HSD17B2CA12CA1CA2CA7 | |
| SCHEMBL8887069 | 0.86 | ESR1 (0.66) | HSD17B2CA12CA1CA2CA7 | |
| SCHEMBL27683302 | 0.86 | HSD17B2 (0.67) | HSD17B2CA12CA1CA2CA7 | |
| SCHEMBL1011945 | 0.86 | HSD17B2 (0.61) | HSD17B2CA12CA1CA2CA7 | |
| SCHEMBL1561197 | 0.86 | CA12 (0.79) | HSD17B2CA12CA1CA2CA7 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5686406-A | Vanillic acid ester perfuming agents | RHONE-POULENC CHIMIE (FR) | 1997-11-11 | — | — | US | claimed |
| 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-5686406-A | Vanillic acid ester perfuming agents | RHONE-POULENC CHIMIE (FR) | 1997-11-11 | — | — | US | disclosed |
| EP-0315399-B1 | Quinoline derivatives, their use in the treatment of hypersensitive ailments and a pharmaceutical composition containing the same | RHONE POULENC RORER INT (US) | 1996-01-10 | — | — | EP | 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 |