Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.50 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | PARP1 | P09874 | 1/20 | 0.47 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.47 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.47 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.47 |
| ▸ | MTNR1A | P48039 | 3/20 | 0.47 |
| ▸ | MTNR1B | P49286 | 3/20 | 0.47 |
| ▸ | CES2 | O00748 | 1/20 | 0.46 |
| ▸ | CES1 | P23141 | 1/20 | 0.46 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.41 |
| ▸ | PDE4A | P27815 | 1/20 | 0.41 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.41 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.41 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL8004815 | 0.80 | F2 (0.40) | NPC1RAB9APRSS1PRSS2PRSS3 | |
| SCHEMBL14605005 | 0.80 | NPC1 (0.54) | NPC1RAB9APARP1PRSS1PRSS2 | |
| SCHEMBL8747521 | 0.78 | NPC1 (0.53) | NPC1RAB9APARP1PRSS1PRSS2 | |
| SCHEMBL8747519 | 0.78 | NPC1 (0.53) | NPC1RAB9APARP1PRSS1PRSS2 | |
| SCHEMBL365734 | 0.78 | MKNK2 (0.37) | TAAR1 | |
| SCHEMBL9723648 | 0.77 | HTR2A (0.47) | TAAR1 | |
| SCHEMBL9519194 | 0.76 | NPC1 (0.61) | NPC1RAB9APARP1PRSS1PRSS2 | |
| SCHEMBL28366248 | 0.76 | NPC1 (0.61) | NPC1RAB9APARP1PRSS1PRSS2 | |
| SCHEMBL10727765 | 0.73 | NPC1 (0.58) | NPC1RAB9APARP1PRSS1PRSS2 | |
| SCHEMBL5027680 | 0.73 | NPC1 (0.58) | NPC1RAB9APARP1PRSS1PRSS2 |
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-1171127-A2 | PHARMACEUTICAL COMPOSITIONS CONTAINING PYRIDINE OR PYRIMIDINE DERIVATIVES FOR INHIBITION OF CYTOKINE PRODUCTION AND SECRETION | Targacept, Inc. (US) | 2002-01-16 | — | — | EP | disclosed |
| WO-2000062767-A2 | PHARMACEUTICAL COMPOSITIONS CONTAINING PYRIDINE OR PYRIMIDINE DERIVATES FOR INHIBITION OF CYTOKINE PRODUCTION AND SECRETION | TARGACEPT, INC. (US) | 2000-10-26 | — | — | WO | disclosed |