Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AURKA | O14965 | 2/20 | 0.48 |
| ▸ | RPS6KB1 | P23443 | 2/20 | 0.48 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.48 |
| ▸ | PARP1 | P09874 | 1/20 | 0.48 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.48 |
| ▸ | HAO1 | Q9UJM8 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.46 |
| ▸ | CD38 | P28907 | 2/20 | 0.46 |
| ▸ | IDO1 | P14902 | 2/20 | 0.45 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.45 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.45 |
| ▸ | TAS1R2 | Q8TE23 | 1/20 | 0.45 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.44 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.44 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.44 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.44 |
| ▸ | HTR1A | P08908 | 1/20 | 0.44 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL484230 | 1.00 | AURKA (0.48) | AURKARPS6KB1AURKBPARP1PARP2 | |
| SCHEMBL3462221 | 0.90 | PIN1 (0.49) | AURKARPS6KB1AURKBPARP1PARP2 | |
| SCHEMBL3460627 | 0.90 | PIN1 (0.49) | AURKARPS6KB1AURKBPARP1PARP2 | |
| SCHEMBL2798590 | 0.90 | PIN1 (0.49) | AURKARPS6KB1AURKBPARP1PARP2 | |
| SCHEMBL15518445 | 0.86 | HAO1 (0.51) | HAO1ALDH1A1MAPK1MAPK14TAS1R3 | |
| SCHEMBL5272968 | 0.85 | CD38 (0.45) | AURKARPS6KB1AURKBPARP1PARP2 | |
| Hydrochloric Acid SCHEMBL15520046 | 0.84 | HAO1 (0.50) | HAO1ALDH1A1MAPK1MAPK14TAS1R3 | |
| SCHEMBL8516651 | 0.83 | AURKA (0.46) | AURKARPS6KB1AURKBPARP1PARP2 | |
| SCHEMBL14360065 | 0.79 | HAO1 (0.64) | HAO1MAPK1MAPK14IDO1ADRA2A | |
| SCHEMBL21001113 | 0.79 | ADRA2A (0.49) | AURKARPS6KB1AURKBPARP1PARP2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2002094767-A3 | TRISUBSTITUTED-N-[(1S)-1,2,3,4-TETRAHYDRO-1-NAPHTHALENYL] BENZAMIDES WHICH INHIBIT P2X3 AND P2X2/3 CONTAINING RECEPTORS | ABBOTT LAB (US) | 2003-07-31 | — | — | WO | disclosed |
| WO-2002094767-A2 | TRISUBSTITUTED-N-[(1S)-1,2,3,4-TETRAHYDRO-1-NAPHTHALENYL] BENZAMIDES WHICH INHIBIT P2X3 AND P2X2/3 CONTAINING RECEPTORS | ABBOTT LABORATORIES (US) | 2002-11-28 | — | — | WO | disclosed |