Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 2/20 | 0.40 |
| ▸ | CA9 | Q16790 | 2/20 | 0.40 |
| ▸ | DRD2 | P14416 | 1/20 | 0.40 |
| ▸ | DRD4 | P21917 | 1/20 | 0.40 |
| ▸ | DRD3 | P35462 | 1/20 | 0.40 |
| ▸ | HTR5A | P47898 | 1/20 | 0.40 |
| ▸ | MTNR1A | P48039 | 10/20 | 0.36 |
| ▸ | MTNR1B | P49286 | 10/20 | 0.36 |
| ▸ | NQO2 | P16083 | 7/20 | 0.36 |
| ▸ | GAA | P10253 | 3/20 | 0.36 |
| ▸ | TSHR | P16473 | 3/20 | 0.36 |
| ▸ | TP53 | P04637 | 2/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | GLA | P06280 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | CASP1 | P29466 | 2/20 | 0.35 |
| ▸ | CASP7 | P55210 | 2/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL7708576 | 0.90 | CA12 (0.42) | CA12CA9DRD2DRD4DRD3 | |
| SCHEMBL7712525 | 0.80 | CA12 (0.45) | CA12CA9DRD2DRD4DRD3 | |
| SCHEMBL7714513 | 0.77 | CA12 (0.43) | CA12CA9GAATSHRALDH1A1 | |
| SCHEMBL7714500 | 0.76 | MAOA (0.31) | MTNR1AMTNR1B | |
| SCHEMBL7712851 | 0.70 | CA12 (0.41) | CA12CA9MTNR1AMTNR1BALDH1A1 | |
| SCHEMBL4181532 | 0.70 | MTNR1A (0.40) | CA12CA9MTNR1AGAATSHR | |
| Methyl Benzoate SCHEMBL27721434 | 0.69 | TSHR (0.53) | TSHRTP53HTTALDH1A1KDM4E | |
| SCHEMBL8082988 | 0.69 | CA12 (0.36) | CA12CA9TSHR | |
| SCHEMBL7911204 | 0.68 | CA12 (0.50) | CA12CA9TSHRALDH1A1KDM4E | |
| SCHEMBL31090834 | 0.68 | CA12 (0.50) | CA12CA9TSHRALDH1A1KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| US-6369110-B1 | PROPHYLACTIC AGENT FOR DISEASES CAUSED BY THE ACCELERATION OF THE SODIUM/PROTON EXCHANGE TRANSPORT SYSTEM | SUMITOMO PHARMACEUTICALS COMPANY (JP) | 2002-04-09 | — | — | US | disclosed |
| EP-1083166-A1 | NOVEL SUBSTITUTED GUANIDINE DERIVATIVES AND PROCESS FOR PRODUCING THE SAME | SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) | 2001-03-14 | — | — | EP | disclosed |