Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPM4 | Q8TD43 | 1/20 | 0.54 |
| ▸ | NQO2 | P16083 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 3/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | MPI | P34949 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.41 |
| ▸ | GLA | P06280 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.40 |
| ▸ | IDO1 | P14902 | 2/20 | 0.40 |
| ▸ | TDO2 | P48775 | 1/20 | 0.40 |
| ▸ | PTPN22 | Q9Y2R2 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL31185646 | 0.98 | TRPM4 (0.56) | TRPM4NQO2CYP1A2ALDH1A1KDM4E | |
| SCHEMBL29372877 | 0.78 | TRPM4 (0.52) | TRPM4NQO2CYP1A2ALDH1A1KDM4E | |
| SCHEMBL31128184 | 0.72 | CYP2A6 (0.43) | TRPM4NQO2CYP1A2ALDH1A1KDM4E | |
| SCHEMBL26257363 | 0.71 | ALDH1A1 (0.54) | TRPM4CYP1A2ALDH1A1KDM4EMEN1 | |
| SCHEMBL7784188 | 0.71 | TRPM4 (0.44) | TRPM4NQO2ALDH1A1KDM4EMEN1 | |
| SCHEMBL28330344 | 0.71 | CYP2D6 (0.41) | CYP1A2ALDH1A1KDM4EMEN1KMT2A | |
| SCHEMBL27428334 | 0.71 | CYP2D6 (0.41) | CYP1A2ALDH1A1KDM4EMEN1KMT2A | |
| SCHEMBL29399180 | 0.70 | TRPM4 (1.00) | TRPM4NQO2CYP1A2ALDH1A1MAPT | |
| SCHEMBL508755 | 0.70 | TRPM4 (1.00) | TRPM4NQO2CYP1A2ALDH1A1MAPT | |
| SCHEMBL4851997 | 0.70 | CYP1A2 (0.52) | TRPM4NQO2CYP1A2ALDH1A1KDM4E |
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-2012025213-A2 | NOVEL THERAPEUTIC COMPOUNDS | Grünenthal GmbH (DE) | 2012-03-01 | — | — | WO | disclosed |