Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | PARP1 | P09874 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL1813454 | 0.80 | — | — | |
| SCHEMBL2251105 | 0.78 | — | — | |
| SCHEMBL972354 | 0.77 | — | — | |
| SCHEMBL211808 | 0.73 | GAA (0.49) | ALDH1A1NPSR1CYP2D6 | |
| SCHEMBL294392 | 0.71 | TDP1 (0.39) | ALDH1A1NPSR1CYP1A2 | |
| SCHEMBL1220376 | 0.70 | GAA (0.58) | ALDH1A1 | |
| SCHEMBL4932430 | 0.70 | — | — | |
| SCHEMBL7367240 | 0.69 | ALDH1A1 (0.35) | ALDH1A1NPSR1PARP1CYP1A2CYP2D6 | |
| SCHEMBL10526885 | 0.69 | HRH3 (0.45) | — | |
| SCHEMBL1981573 | 0.69 | TDP1 (0.46) | ALDH1A1 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1218739-A4 | 2-AMINOPYRIDINE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF | LION BIOSCIENCE AG (DE) | 2003-06-04 | — | — | EP | claimed |
| US-6458789-B1 | ANTICOAGULENTS, ANTIHISTAMINES, ANTISEPTICS, ANTIARRHYTHMICS AND ANTIRHEUMATICS | LION BIOSCIENCE AG (DE) | 2002-10-01 | — | — | US | claimed |
| EP-1218739-A1 | 2-AMINOPYRIDINE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF | TREGA BIOSCIENCES, INC. (US) | 2002-07-03 | — | — | EP | claimed |
| WO-2001023887-A1 | 2-AMINOPYRIDINE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF | LION BIOSCIENCE AG (DE) | 2001-04-05 | — | — | WO | claimed |
| EP-1218739-A4 | 2-AMINOPYRIDINE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF | LION BIOSCIENCE AG (DE) | 2003-06-04 | — | — | EP | disclosed |
| US-6458789-B1 | ANTICOAGULENTS, ANTIHISTAMINES, ANTISEPTICS, ANTIARRHYTHMICS AND ANTIRHEUMATICS | LION BIOSCIENCE AG (DE) | 2002-10-01 | — | — | US | disclosed |
| EP-1218739-A1 | 2-AMINOPYRIDINE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF | TREGA BIOSCIENCES, INC. (US) | 2002-07-03 | — | — | EP | disclosed |
| WO-2001023887-A1 | 2-AMINOPYRIDINE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF | LION BIOSCIENCE AG (DE) | 2001-04-05 | — | — | WO | disclosed |