Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.39 |
| ▸ | TRPV1 | Q8NER1 | 5/20 | 0.38 |
| ▸ | HTR2C | P28335 | 1/20 | 0.38 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.37 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.36 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.36 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.36 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.36 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.36 |
| ▸ | PRKCG | P05129 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL6312111 | 0.82 | KDM4E (0.49) | SLC22A12KDM4EMAPKAPK2TRPV1HTR2C | |
| SCHEMBL6598927 | 0.79 | HTR2C (0.38) | SLC22A12KDM4EMAPKAPK2TRPV1HTR2C | |
| SCHEMBL6598097 | 0.77 | SLC9A1 (0.42) | SLC22A12KDM4ELMNACYP3A4CYP2C9 | |
| SCHEMBL6258515 | 0.75 | HTR2C (0.42) | SLC22A12KDM4EMAPKAPK2TRPV1HTR2C | |
| Hydrochloric Acid SCHEMBL6313547 | 0.74 | HTR2C (0.41) | SLC22A12KDM4EMAPKAPK2TRPV1HTR2C | |
| SCHEMBL6258512 | 0.73 | HTR2C (0.42) | SLC22A12KDM4EMAPKAPK2TRPV1HTR2C | |
| Hydrochloric Acid SCHEMBL6313539 | 0.72 | HTR2C (0.42) | SLC22A12KDM4EHTR2CP2RX7NPY5R | |
| SCHEMBL6312276 | 0.72 | HTR2C (0.47) | SLC22A12KDM4EMAPKAPK2TRPV1HTR2C | |
| SCHEMBL5245224 | 0.71 | KDM4E (0.55) | KDM4ELMNACYP3A4ALDH1A1MAPT | |
| SCHEMBL6312241 | 0.68 | SLC9A1 (0.45) | SLC22A12KDM4EMAPKAPK2LMNACYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1056729-B1 | N-[(SUBSTITUTED FIVE-MEMBERED DI- OR TRIAZA DIUNSATURATED RING)CARBONYL]GUANIDINE DERIVATIVES FOR THE TREATMENT OF ISCHEMIA | PFIZER PROD INC (US) | 2004-12-29 | — | — | EP | claimed |