Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 3/20 | 0.39 |
| ▸ | CA12 | O43570 | 3/20 | 0.39 |
| ▸ | CA1 | P00915 | 3/20 | 0.39 |
| ▸ | CA2 | P00918 | 3/20 | 0.39 |
| ▸ | CA7 | P43166 | 3/20 | 0.39 |
| ▸ | CA9 | Q16790 | 3/20 | 0.39 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.39 |
| ▸ | P2RY12 | Q9H244 | 1/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL5180005 | 0.87 | RXRA (0.39) | CYP2C9CYP2C19TDP1MAPTMEN1 | |
| SCHEMBL5178219 | 0.85 | RXRA (0.37) | CYP2C9CYP2C19TDP1MAPTMEN1 | |
| SCHEMBL5180399 | 0.81 | RXRA (0.44) | CYP2C9CYP2C19TDP1MAPTMEN1 | |
| SCHEMBL5179646 | 0.80 | KDM4E (0.54) | TDP1MAPTMEN1KMT2AHDAC3 | |
| SCHEMBL11530672 | 0.77 | ALDH1A1 (0.56) | CYP2C9CYP2C19MAPTNPC1GAA | |
| SCHEMBL5665632 | 0.76 | CA12 (0.58) | CYP2C9CYP2C19TDP1NPC1CA12 | |
| SCHEMBL5179272 | 0.76 | HDAC3 (0.47) | CYP2C9CYP2C19TDP1MAPTMEN1 | |
| SCHEMBL22235630 | 0.75 | RXRA (0.40) | CYP2C19TDP1RAB9ACA1CA2 | |
| SCHEMBL3564942 | 0.74 | CYP2C9 (0.47) | CYP2C9CYP2C19MAPTMEN1NPC1 | |
| SCHEMBL16418625 | 0.73 | CA12 (0.58) | CYP2C9CYP2C19TDP1MEN1NPC1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1180520-B1 | PYRIMIDINE CARBOXYLIC ACID DERIVATIVES | INST MED MOLECULAR DESIGN INC (JP) | 2007-06-20 | — | — | EP | disclosed |
| US-6869959-B1 | Heterocyclic carboxylic acid derivatives | INSTITUTE OF MEDICINAL MOLECULAR DESIGN INC. (JP) | 2005-03-22 | — | — | US | disclosed |
| EP-1180520-A1 | HETEROCYCLIC CARBOXYLIC ACID DERIVATIVES | Institute of Medicinal Molecular Design, Inc. (JP) | 2002-02-20 | — | — | EP | disclosed |