Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK1 | Q13464 | 6/20 | 0.57 |
| ▸ | NOS3 | P29474 | 3/20 | 0.41 |
| ▸ | NOS1 | P29475 | 3/20 | 0.41 |
| ▸ | NOS2 | P35228 | 2/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.37 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.34 |
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | CA3 | P07451 | 1/20 | 0.34 |
| ▸ | CA4 | P22748 | 1/20 | 0.34 |
| ▸ | CA6 | P23280 | 1/20 | 0.34 |
| ▸ | CA5A | P35218 | 1/20 | 0.34 |
| ▸ | CA7 | P43166 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.34 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.34 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.34 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL10274426 | 0.86 | ALDH1A1 (0.46) | ROCK1NOS3NOS1NOS2CYP2A6 | |
| SCHEMBL17253660 | 0.81 | ROCK1 (0.38) | ROCK1NOS3NOS1NOS2 | |
| SCHEMBL17221600 | 0.79 | ROCK1 (0.57) | ROCK1NOS3NOS1NOS2CYP2A6 | |
| SCHEMBL29787060 | 0.78 | ROCK1 (0.53) | ROCK1NOS3NOS1NOS2CYP2A6 | |
| SCHEMBL28583787 | 0.78 | ROCK1 (0.53) | ROCK1NOS3NOS1NOS2CYP2A6 | |
| SCHEMBL15676703 | 0.77 | LMNA (0.47) | NOS3NOS1NOS2CYP2A6NR4A2 | |
| SCHEMBL27592978 | 0.77 | KDM4E (0.47) | CYP2A6NR4A2 | |
| Hydrochloric Acid SCHEMBL3761973 | 0.76 | KDM4E (0.46) | CYP2A6NR4A2 | |
| SCHEMBL393406 | 0.74 | HTT (0.43) | NR4A2 | |
| SCHEMBL7142868 | 0.74 | USP7 (0.37) | NR4A2TLR8 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6642253-B2 | Thrombin inhibitors comprising an aminoisoquinoline group | AKZO NOBEL N. V. (NL) | 2003-11-04 | — | — | US | disclosed |
| CN-1441784-A | Thrombin inhibitors comprising aminoisoquinoline group | AKZO NOBEL NV (NL) | 2003-09-10 | — | — | CN | disclosed |
| US-20030166579-A1 | THROMBIN INHIBITORS COMPRISING AN AMINOISOQUINOLINE GROUP | N.V. ORGANON (NL) | 2003-09-04 | — | — | US | disclosed |
| WO-2002004423-A9 | THROMBIN INHIBITORS COMPRISING AN AMINOISOQUINOLINE GROUP | AKZO NOBEL NV (NL) | 2003-05-15 | — | — | WO | disclosed |
| EP-1303491-A1 | THROMBIN INHIBITORS COMPRISING AN AMINOISOQUINOLINE GROUP | Akzo Nobel N.V. (NL) | 2003-04-23 | — | — | EP | disclosed |
| WO-2002004423-A1 | THROMBIN INHIBITORS COMPRISING AN AMINOISOQUINOLINE GROUP | AKZO NOBEL N.V. (NL) | 2002-01-17 | — | — | WO | 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 (1 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-20030166579-A1 | THROMBIN INHIBITORS COMPRISING AN AMINOISOQUINOLINE GROUP | F2, TFPI, SERPINC1 | ROCK1 346/4885NOS3 397/4885NOS1 711/4885 |
“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.