Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PGR | P06401 | 1/20 | 0.34 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.34 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.34 |
| ▸ | HTR2A | P28223 | 1/20 | 0.34 |
| ▸ | HRH1 | P35367 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
| ▸ | DPP4 | P27487 | 1/20 | 0.33 |
| ▸ | FDPS | P14324 | 1/20 | 0.30 |
| ▸ | EYA2 | O00167 | 1/20 | 0.30 |
| ▸ | APP | P05067 | 1/20 | 0.30 |
| ▸ | ACE | P12821 | 1/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.30 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.30 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.30 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.30 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.30 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL19226113 | 0.84 | CHRM2 (0.33) | PGRADRA2AADRA2BHTR2AHRH1 | |
| SCHEMBL298413 | 0.78 | — | — | |
| SCHEMBL868741 | 0.76 | ADRA2A (0.39) | PGRADRA2AADRA2BHTR2AHRH1 | |
| Hydrochloric Acid SCHEMBL10492850 | 0.75 | TSHR (0.35) | — | |
| SCHEMBL2561091 | 0.75 | DPP4 (0.39) | ADRA2ADPP4EYA2APPACE | |
| SCHEMBL3246687 | 0.74 | KMT2A (0.44) | TDP1 | |
| SCHEMBL593204 | 0.74 | ADRA2A (0.38) | PGRADRA2AADRA2BHTR2AHRH1 | |
| Hydrochloric Acid SCHEMBL3235384 | 0.73 | KMT2A (0.43) | TDP1 | |
| SCHEMBL593136 | 0.72 | ADRA2A (0.37) | PGRADRA2AADRA2BHTR2AHRH1 | |
| SCHEMBL4629162 | 0.72 | GABRP (0.38) | PGRADRA2AADRA2BHTR2AHRH1 |
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-6506761-B1 | Compound of the invention are active as inhibitors of Thrombin and are useful in treating disease states in mammals which are characterized by abnormal thrombosis and have the following structure: | CORVAS INTERNATIONAL, INC. | 2003-01-14 | — | — | US | disclosed |
| US-6506760-B1 | Compounds of the invention are active as inhibitors of Thrombin and are useful in treating disease states in mammals which are characterized by abnormal thrombosis and have the following structure: | CORVAS INTERNATIONAL, INC. | 2003-01-14 | — | — | US | disclosed |
| WO-2001079193-A2 | SUBSTITUTED HYDRAZINYL HETEROAROMATIC INHIBITORS OF THROMBIN | CORVAS INTERNATIONAL, INC. (US) | 2001-10-25 | — | — | WO | disclosed |