Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 1/20 | 0.43 |
| ▸ | ENPP2 | Q13822 | 2/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.36 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.36 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.36 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.36 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL13197059 | 0.85 | GAA (0.50) | HTR2AENPP2CA1CA2GAA | |
| SCHEMBL20780767 | 0.82 | CXCR2 (0.40) | — | |
| SCHEMBL1994361 | 0.80 | HSD17B10 (0.46) | ENPP2CA1CA2HSD17B10 | |
| SCHEMBL20780753 | 0.78 | CXCR1 (0.34) | HTR2A | |
| SCHEMBL29958385 | 0.76 | ENPP2 (0.45) | ENPP2CA1CA2HSD17B10ABCB11 | |
| SCHEMBL2319853 | 0.76 | ENPP2 (0.45) | ENPP2CA1CA2HSD17B10ABCB11 | |
| SCHEMBL1988773 | 0.76 | AKR1C3 (0.44) | HSD17B10AKR1C3AKR1C2AKR1C1PTGS1 | |
| SCHEMBL28458052 | 0.75 | ENPP2 (0.44) | ENPP2CA1CA2HSD17B10 | |
| SCHEMBL13003914 | 0.74 | HTR2A (0.41) | HTR2A | |
| SCHEMBL28687663 | 0.74 | LIPG (0.53) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-RE47267-E1 | Pyridinecarboxamides as CXCR2 modulators | SYNTRIX BIOSYSTEMS, INC. (US) | 2019-03-05 | — | — | US | disclosed |