Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RX7 | Q99572 | 4/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | CCR8 | P51685 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | AHR | P35869 | 1/20 | 0.32 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.30 |
| ▸ | AXL | P30530 | 1/20 | 0.30 |
| ▸ | PRKCI | P41743 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL15826676 | 0.84 | ALDH1A1 (0.38) | P2RX7ALDH1A1LMNAHTTCCR8 | |
| SCHEMBL13184313 | 0.73 | AHR (0.38) | P2RX7CCR8KMT2AAHRSIRT2 | |
| SCHEMBL20350309 | 0.71 | ALDH1A1 (0.36) | P2RX7ALDH1A1LMNAHTTCCR8 | |
| SCHEMBL15826672 | 0.70 | P2RX7 (0.39) | P2RX7CCR8KMT2AAHRSIRT2 | |
| SCHEMBL17072118 | 0.69 | PARP1 (0.39) | P2RX7ALDH1A1LMNAHTTCCR8 | |
| SCHEMBL8349453 | 0.69 | PARP1 (0.39) | P2RX7ALDH1A1LMNAHTTCCR8 | |
| SCHEMBL29415604 | 0.69 | ALDH1A1 (0.39) | P2RX7ALDH1A1LMNAHTTCCR8 | |
| SCHEMBL30954324 | 0.69 | ALDH1A1 (0.39) | P2RX7ALDH1A1LMNAHTTCCR8 | |
| SCHEMBL19297128 | 0.68 | ACE2 (0.36) | P2RX7ALDH1A1LMNAHTTCCR8 | |
| SCHEMBL22492418 | 0.68 | CCR8 (0.55) | ALDH1A1LMNAHTTCCR8KMT2A |
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-2931717-A1 | INDOLE CARBOXAMIDE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS | Actelion Pharmaceuticals Ltd. (CH) | 2015-10-21 | — | — | EP | disclosed |
| WO-2014091415-A1 | INDOLE CARBOXAMIDE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS | ACTELION PHARMACEUTICALS LTD (CH) | 2014-06-19 | — | — | WO | disclosed |