Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PNMT | P11086 | 1/20 | 0.56 |
| ▸ | DRD2 | P14416 | 9/20 | 0.49 |
| ▸ | DRD3 | P35462 | 9/20 | 0.49 |
| ▸ | HTR2C | P28335 | 6/20 | 0.49 |
| ▸ | HTR2A | P28223 | 5/20 | 0.49 |
| ▸ | HTR6 | P50406 | 5/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.49 |
| ▸ | DRD1 | P21728 | 5/20 | 0.46 |
| ▸ | DRD5 | P21918 | 5/20 | 0.46 |
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | CA7 | P43166 | 1/20 | 0.46 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.46 |
| ▸ | DRD4 | P21917 | 2/20 | 0.45 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL14297366 | 0.93 | PNMT (0.53) | PNMTDRD2DRD3HTR2CHTR2A | |
| SCHEMBL21762556 | 0.85 | DRD1 (0.51) | PNMTDRD2DRD3HTR2CDRD1 | |
| SCHEMBL11948273 | 0.82 | PNMT (0.61) | PNMTHTR2CHTR6CA12CA1 | |
| SCHEMBL12828070 | 0.82 | CA12 (0.66) | PNMTHTR2CHTR6CA12CA1 | |
| SCHEMBL4035842 | 0.82 | PNMT (0.49) | PNMTCA1CA2CA7CA14 | |
| SCHEMBL4792242 | 0.80 | HRH3 (0.48) | PNMTDRD2DRD3HRH3 | |
| SCHEMBL20692073 | 0.80 | CA1 (0.62) | PNMTDRD2DRD3HTR2CHTR2A | |
| SCHEMBL15739728 | 0.79 | ROCK1 (0.52) | PNMTCYP1A2CYP3A4CYP2D6CA12 | |
| SCHEMBL7415497 | 0.79 | MAOA (0.48) | DRD2DRD3HTR2CHTR2AHTR6 | |
| SCHEMBL4030704 | 0.78 | PNMT (0.81) | PNMTHTR2CHTR2B |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012052390-A1 | N-2-(2-PYRIDINYL)-4-PYRIMIDINYL-BETA-ALANINE DERIVATIVES AS INHIBITORS OF HISTONE DEMETHYLASE JMJD3 | GLAXO GROUP LIMITED (GB) | 2012-04-26 | — | — | WO | disclosed |