Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NSD2 | O96028 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.39 |
| ▸ | MEN1 | O00255 | 5/20 | 0.39 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.39 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | POLB | P06746 | 2/20 | 0.38 |
| ▸ | PKM | P14618 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | GALK1 | P51570 | 1/20 | 0.37 |
| ▸ | CCR6 | P51684 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL3100232 | 1.00 | NSD2 (0.43) | NSD2MAPTCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL4837150 | 0.82 | NSD2 (0.49) | NSD2MAPTCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL5669102 | 0.79 | TSHR (0.54) | NSD2MAPTKMT2AMEN1ALDH1A1 | |
| SCHEMBL4840028 | 0.78 | NSD2 (0.45) | NSD2MAPTCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL4840021 | 0.78 | NSD2 (0.45) | NSD2MAPTCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL23611791 | 0.77 | NSD2 (0.44) | NSD2MAPTCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL8432138 | 0.75 | NPSR1 (0.49) | MAPTCYP1A2MAPK1CYP2C19NPSR1 | |
| SCHEMBL3100238 | 0.75 | NSD2 (0.45) | NSD2MAPTCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL3093809 | 0.73 | MAPT (0.47) | MAPTCYP1A2CYP3A4CYP2C19NPSR1 | |
| SCHEMBL14583961 | 0.73 | MAPT (0.47) | MAPTCYP1A2CYP3A4CYP2C19NPSR1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1919908-B1 | TRIAZOLE DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS | GLAXO GROUP LTD (GB) | 2010-11-10 | — | — | EP | disclosed |