Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 2/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.56 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.40 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.40 |
| ▸ | CTRB1 | P17538 | 3/20 | 0.40 |
| ▸ | CTSC | P53634 | 1/20 | 0.40 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.39 |
| ▸ | RPS6KA5 | O75582 | 1/20 | 0.39 |
| ▸ | RPS6KA4 | O75676 | 1/20 | 0.39 |
| ▸ | PRKACA | P17612 | 1/20 | 0.39 |
| ▸ | GSK3A | P49840 | 1/20 | 0.39 |
| ▸ | GSK3B | P49841 | 1/20 | 0.39 |
| ▸ | IRAK1 | P51617 | 1/20 | 0.39 |
| ▸ | PRKX | P51817 | 1/20 | 0.39 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.39 |
| ▸ | PRKG1 | Q13976 | 1/20 | 0.39 |
| ▸ | PKN2 | Q16513 | 1/20 | 0.39 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.39 |
| ▸ | SGK2 | Q9HBY8 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL7270308 | 0.87 | ALDH1A1 (0.42) | CTRB1ALDH1A1THRBCYP2C9CYP2C19 | |
| SCHEMBL7279585 | 0.84 | CA2 (0.43) | CTRB1ANPEPRNPEPDNPEP | |
| SCHEMBL7361627 | 0.83 | CTSB (0.52) | — | |
| SCHEMBL7364429 | 0.81 | REN (0.42) | CTRB1ANPEPRNPEPDNPEP | |
| SCHEMBL7358377 | 0.80 | CTSB (0.39) | CTRB1ANPEPRNPEPDNPEP | |
| SCHEMBL10558069 | 0.77 | MAPK1 (0.75) | MAPK1CYP3A4CTRB1CTSCROCK2 | |
| SCHEMBL24453079 | 0.77 | MAPK1 (0.69) | MAPK1CYP3A4CTSCROCK2RPS6KA5 | |
| SCHEMBL13669592 | 0.77 | MAPK1 (0.69) | MAPK1CYP3A4CTSCROCK2RPS6KA5 | |
| SCHEMBL17037426 | 0.75 | CYP3A4 (0.75) | MAPK1CYP3A4ROCK2RPS6KA5RPS6KA4 | |
| SCHEMBL18568243 | 0.74 | ALPI (0.51) | ANPEPRNPEPDNPEP |
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-2001003644-A9 | PYRAZOLOPYRIMIDINONE DERIVATIVES CONJUGATED TO THIOPHENE MOIETIES OR BENZO [FUSED] 5-MEMBERED HETEROCYCLES FOR ERECTILE DYSFUNCTION | PICOWER INST MED RES (US) | 2001-11-29 | — | — | WO | disclosed |