Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 4/20 | 0.63 |
| ▸ | CA2 | P00918 | 4/20 | 0.62 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.56 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.56 |
| ▸ | MAPT | P10636 | 1/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.51 |
| ▸ | GAB1 | Q13480 | 1/20 | 0.51 |
| ▸ | PKM | P14618 | 1/20 | 0.49 |
| ▸ | HTR2A | P28223 | 2/20 | 0.43 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL18901146 | 0.83 | CYP2A6 (0.63) | CYP2A6CA2KEAP1NFE2L2MAPT | |
| SCHEMBL17788644 | 0.83 | CA2 (0.58) | CYP2A6CA2KEAP1NFE2L2MAPT | |
| SCHEMBL156931 | 0.81 | CYP2A6 (0.69) | CYP2A6CA2KEAP1NFE2L2MAPT | |
| SCHEMBL4067362 | 0.79 | IFNAR1 (0.50) | CYP2A6CA2MAPTSMN1; SMN2GAB1 | |
| SCHEMBL4418009 | 0.79 | CYP2A6 (0.71) | CYP2A6CA2KEAP1NFE2L2MAPT | |
| SCHEMBL9883963 | 0.78 | CYP2A6 (0.65) | CYP2A6CA2KEAP1NFE2L2MAPT | |
| SCHEMBL2949120 | 0.77 | CYP2A6 (0.69) | CYP2A6CA2KEAP1NFE2L2MAPT | |
| SCHEMBL2094708 | 0.77 | CYP2A6 (0.69) | CYP2A6CA2KEAP1NFE2L2MAPT | |
| SCHEMBL2089678 | 0.77 | CYP2A6 (0.69) | CYP2A6CA2KEAP1NFE2L2MAPT | |
| SCHEMBL3180021 | 0.77 | CYP2A6 (1.00) | CYP2A6CA2KEAP1NFE2L2MAPT |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3016951-B1 | TRICYCLIC PYRIDO-CARBOXAMIDE DERIVATIVES AS ROCK INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2017-05-31 | — | — | EP | disclosed |
| US-20160152628-A1 | TRICYCLIC PYRIDO-CARBOXAMIDE DERIVATIVES AS ROCK INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2016-06-02 | — | — | US | disclosed |
| US-20070099927-A1 | Aminoalkyl-pyrazinones and-pyridones as thrombin inhibitors | SANTHERA PHARMACEUTICALS (SCHWEIZ) GMBH (CH) | 2007-05-03 | — | — | US | disclosed |
| US-20070099927-A1 | Aminoalkyl-pyrazinones and-pyridones as thrombin inhibitors | SANTHERA PHARMACEUTICALS (SCHWEIZ) GMBH (CH) | 2007-05-03 | — | — | US | disclosed |
| US-20070099927-A1 | Aminoalkyl-pyrazinones and-pyridones as thrombin inhibitors | SANTHERA PHARMACEUTICALS (SCHWEIZ) GMBH (CH) | 2007-05-03 | — | — | US | disclosed |
| WO-2005040137-A1 | AMINOALKYL-PYRAZINONES AND -PYRIDONES AS THROMBIN INHIBITORS | SANTHERA PHARMACEUTICALS (SCHWEIZ) GMBH (CH) | 2005-05-06 | — | — | WO | disclosed |
| EP-1526131-A1 | Aminoalkyl-pyrazinones and -pyridones as thrombin inhibitors | Graffinity Pharmaceuticals Aktiengesellschaft (DE) | 2005-04-27 | — | — | EP | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20160152628-A1 | TRICYCLIC PYRIDO-CARBOXAMIDE DERIVATIVES AS ROCK INHIBITORS | MYLK, MYLK2, ROCK1 | CYP2A6 3062/4885CA2 124/4885KEAP1 835/4885 |
| US-20070099927-A1 | Aminoalkyl-pyrazinones and-pyridones as thrombin inhibitors | F2, F12, SERPINC1 | CYP2A6 251/4885CA2 2775/4885KEAP1 1103/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.