Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.41 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.40 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.40 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | IDO1 | P14902 | 1/20 | 0.38 |
| ▸ | AGXT | P21549 | 1/20 | 0.38 |
| ▸ | AURKA | O14965 | 1/20 | 0.38 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | CTBP2 | P56545 | 1/20 | 0.38 |
| ▸ | MMP13 | P45452 | 1/20 | 0.38 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL4466620 | 0.71 | TAAR1 (0.43) | TAAR1IDO1AGXTMEN1KMT2A | |
| SCHEMBL1326762 | 0.66 | CTBP2 (0.60) | PARP1TAAR1MAPK8CYP1A2IDO1 | |
| SCHEMBL5530347 | 0.64 | MEN1 (0.50) | MEN1KMT2A | |
| Hydrochloric Acid SCHEMBL13727108 | 0.64 | CTBP2 (0.59) | PARP1TAAR1MAPK8CYP1A2IDO1 | |
| SCHEMBL6139463 | 0.63 | IDO1 (0.62) | PARP1TAAR1CYP1A2IDO1AGXT | |
| SCHEMBL660540 | 0.63 | TAAR1 (0.62) | TAAR1NR3C2IDO1AGXT | |
| SCHEMBL6713614 | 0.63 | PARP1 (0.61) | PARP1TAAR1NR3C2 | |
| SCHEMBL26128078 | 0.63 | L3MBTL1 (0.57) | CYP1A2ALDH1A1HTTCTBP2MEN1 | |
| SCHEMBL30601824 | 0.63 | L3MBTL1 (0.57) | CYP1A2ALDH1A1HTTCTBP2MEN1 | |
| SCHEMBL7638555 | 0.63 | TAAR1 (0.56) | TAAR1MAPK8IDO1AGXTCTBP2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2185537-A1 | PYRIMIDINE AND PYRIDINE DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS | Pfizer Inc. (US) | 2010-05-19 | — | — | EP | disclosed |
| WO-2009016498-A1 | PYRIMIDINE AND PYRIDINE DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS | PFIZER INC. (US) | 2009-02-05 | — | — | WO | disclosed |