Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCAT2 | O15382 | 1/20 | 0.51 |
| ▸ | NPC1 | O15118 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | NAAA | Q02083 | 2/20 | 0.47 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.47 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | CNR1 | P21554 | 2/20 | 0.46 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.46 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.46 |
| ▸ | CNR2 | P34972 | 1/20 | 0.46 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.46 |
| ▸ | ASAH1 | Q13510 | 1/20 | 0.45 |
| ▸ | AOC3 | Q16853 | 3/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL3141390 | 1.00 | BCAT2 (0.51) | BCAT2NPC1RAB9ASMN1; SMN2NAAA | |
| SCHEMBL7487803 | 0.95 | NAAA (0.50) | BCAT2NPC1RAB9ASMN1; SMN2NAAA | |
| SCHEMBL3510106 | 0.91 | MTNR1A (0.53) | BCAT2NPC1RAB9ASMN1; SMN2MTNR1A | |
| SCHEMBL31505725 | 0.87 | HTR2A (0.58) | MTNR1AMTNR1BCNR1EPHX2CNR2 | |
| SCHEMBL25496786 | 0.86 | MTNR1A (0.67) | BCAT2NPC1RAB9ASMN1; SMN2NAAA | |
| SCHEMBL8103817 | 0.86 | MTNR1A (0.67) | BCAT2NPC1RAB9ASMN1; SMN2NAAA | |
| SCHEMBL1016701 | 0.82 | CASR (0.48) | EPHX2 | |
| SCHEMBL25496788 | 0.82 | SMN1; SMN2 (0.56) | NPC1RAB9ASMN1; SMN2NAAAKDM4E | |
| SCHEMBL3509613 | 0.82 | MTNR1A (0.45) | BCAT2NAAAMTNR1AMTNR1BCNR1 | |
| SCHEMBL17594860 | 0.82 | MTNR1A (0.45) | NAAAMTNR1AMTNR1BCNR1EPHX2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1414802-A1 | HETEROARYLHETEROALKYLAMINE DERIVATIVES AND THEIR USE AS INHIBITORS OF NITRIC OXIDE SYNTHASE | AstraZeneca AB (SE) | 2004-05-06 | — | — | EP | disclosed |
| WO-2003011830-A1 | HETEROARYLHETEROALKYLAMINE DERIVATIVES AND THEIR USE AS INHIBITORS OF NITRIC OXIDE SYNTHASE | ASTRAZENECA AB (SE) | 2003-02-13 | — | — | WO | disclosed |