Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.38 |
| ▸ | CHRM3 | P20309 | 5/20 | 0.37 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.37 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.37 |
| ▸ | PDE4A | P27815 | 1/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.37 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.37 |
| ▸ | TACR1 | P25103 | 1/20 | 0.37 |
| ▸ | LTA4H | P09960 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | NAAA | Q02083 | 1/20 | 0.36 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL26328667 | 0.84 | TACR1 (0.45) | ALDH1A1TSHRTACR1TAAR1 | |
| SCHEMBL13279978 | 0.82 | ALDH1A1 (0.50) | ALDH1A1TSHRSOAT1CHRM3CHRM2 | |
| SCHEMBL712647 | 0.78 | ALDH1A1 (0.49) | ALDH1A1TSHRSOAT1CHRM3CHRM2 | |
| SCHEMBL1900505 | 0.77 | ALDH1A1 (0.46) | ALDH1A1TSHRSOAT1CHRM3CHRM2 | |
| SCHEMBL1900502 | 0.77 | ALDH1A1 (0.46) | ALDH1A1TSHRSOAT1CHRM3CHRM2 | |
| SCHEMBL11019198 | 0.76 | ALDH1A1 (0.44) | ALDH1A1TSHRSOAT1LTA4HTDP1 | |
| SCHEMBL4750397 | 0.76 | TSHR (0.47) | ALDH1A1TSHRCHRM3CHRM2CHRM1 | |
| SCHEMBL30959761 | 0.76 | TSHR (0.47) | ALDH1A1TSHRCHRM3CHRM2CHRM1 | |
| SCHEMBL27274916 | 0.74 | L3MBTL1 (0.48) | ALDH1A1TSHRSOAT1TDP1L3MBTL1 | |
| SCHEMBL15899122 | 0.74 | ALDH1A1 (0.43) | ALDH1A1TSHRSOAT1CHRM3CHRM2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6337334-B1 | SUBSTITUTED BIPYRIMIDINES WITH ETHERS AND SULFONAMIDE GROUPS COMPOUNDS EXHIBIT STRONG BINDING INHIBITORY ACTIVITY AGAINST ENDOTHELIN HAVING POTENT VASOCONSTRICTIVE EFFECT AND CELL PROLIFERATION EFFECT. | KOWA CO., LTD. (JP) | 2002-01-08 | — | — | US | disclosed |
| US-6008224-A | POTENT ENDOTHELIN ANTAGONISM TREATING VASOCONSTRICTIVE EFFECT AND CELL PROLIFERATION EFFECT | KOWA CO., LTD. (JP) | 1999-12-28 | — | — | US | disclosed |
| EP-0801062-A1 | PYRIMIDINE DERIVATIVES | KOWA CO. LTD. (JP) | 1997-10-15 | — | — | EP | disclosed |