Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.40 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.40 |
| ▸ | MGAM | O43451 | 1/20 | 0.36 |
| ▸ | AMY1A | P0DUB6 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | SI | P14410 | 1/20 | 0.36 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.36 |
| ▸ | DRD2 | P14416 | 3/20 | 0.36 |
| ▸ | HTR2A | P28223 | 3/20 | 0.36 |
| ▸ | DRD3 | P35462 | 3/20 | 0.36 |
| ▸ | PARP1 | P09874 | 1/20 | 0.36 |
| ▸ | FABP4 | P15090 | 1/20 | 0.36 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.36 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.35 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.35 |
| ▸ | NTRK1 | P04629 | 3/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL3460627 | 0.71 | PIN1 (0.49) | TAS1R3TAS1R1PARP1CA1CA2 | |
| SCHEMBL3462221 | 0.71 | PIN1 (0.49) | TAS1R3TAS1R1PARP1CA1CA2 | |
| SCHEMBL2798590 | 0.71 | PIN1 (0.49) | TAS1R3TAS1R1PARP1CA1CA2 | |
| SCHEMBL422232 | 0.67 | AOC3 (0.47) | ALDH1A1 | |
| SCHEMBL18249682 | 0.65 | ADRA1A (0.37) | ALDH1A1TAS1R3TAS1R1FABP4MCHR1 | |
| SCHEMBL8516606 | 0.65 | PIN1 (0.46) | PARP1AURKARPS6KB1 | |
| SCHEMBL9814122 | 0.64 | KCNH2 (0.39) | ALDH1A1MGAMAMY1AGAASI | |
| SCHEMBL27552078 | 0.64 | TAS1R3 (0.40) | TAS1R3TAS1R1 | |
| SCHEMBL28195960 | 0.64 | ADRA1A (0.42) | TAS1R3TAS1R1CA1CA2HSD11B1 | |
| SCHEMBL4276692 | 0.64 | PIN1 (0.42) | TAS1R3TAS1R1PARP1HSD11B1AURKA |
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 |
|---|---|---|---|---|---|---|---|
| EP-0612244-A4 | ENDOTHELIN RECEPTOR ANTAGONISTS. | SMITHKLINE BEECHAM CORP (US) | 1995-05-17 | — | — | EP | disclosed |
| EP-0612244-A1 | ENDOTHELIN RECEPTOR ANTAGONISTS | SMITHKLINE BEECHAM CORPORATION (US) | 1994-08-31 | — | — | EP | disclosed |