Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 2/20 | 0.39 |
| ▸ | CHRNA5 | P30532 | 2/20 | 0.39 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.39 |
| ▸ | PDE5A | O76074 | 2/20 | 0.38 |
| ▸ | GBA1 | P04062 | 7/20 | 0.37 |
| ▸ | ABCG2 | Q9UNQ0 | 2/20 | 0.35 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | KDM6B | O15054 | 1/20 | 0.33 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.33 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.33 |
| ▸ | MAOB | P27338 | 1/20 | 0.33 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.33 |
| ▸ | AHR | P35869 | 1/20 | 0.33 |
| ▸ | AVPR1A | P37288 | 1/20 | 0.33 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.33 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL7632588 | 0.84 | HDAC1 (0.39) | PDE5AGBA1RAB9AKMT2AEPHX2 | |
| SCHEMBL7234847 | 0.81 | KDM4E (0.46) | CHRNB2CHRNA5CHRNA4PDE5AEPHX2 | |
| SCHEMBL7236687 | 0.81 | PTGS2 (0.37) | CHRNB2CHRNA5CHRNA4PDE5AGBA1 | |
| SCHEMBL7634848 | 0.77 | MAPT (0.38) | CHRNB2CHRNA5CHRNA4ABCG2ADORA2A | |
| SCHEMBL7240009 | 0.74 | EPHX2 (0.59) | EPHX2 | |
| SCHEMBL7627296 | 0.74 | MAPT (0.36) | CHRNB2CHRNA5CHRNA4KMT2AMAPK1 | |
| SCHEMBL7638011 | 0.73 | MAPT (0.45) | CHRNB2CHRNA5CHRNA4KMT2AMAPK1 | |
| SCHEMBL7635766 | 0.71 | CACNA1B (0.41) | KMT2AMAPK1 | |
| SCHEMBL7244587 | 0.70 | VCP (0.37) | PDE5AGBA1EPHX2 | |
| SCHEMBL7630028 | 0.70 | ABCB1 (0.36) | ABCG2KMT2AABCB1ABCC1MAPK1 |
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 |
|---|---|---|---|---|---|---|---|
| US-6451820-B1 | Substituted 1-(4-aminophenly)triazoles and their use as anti-inflammatory agents | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. | 2002-09-17 | — | — | US | claimed |
| WO-2001072740-A1 | SUBSTITUTED 1-(4-AMINOPHENYL) TRIAZOLES AND THEIR USE AS ANTI-INFLAMMATORY AGENTS | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) | 2001-10-04 | — | — | WO | claimed |