Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RX7 | Q99572 | 3/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.43 |
| ▸ | CYP2A6 | P11509 | 4/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.42 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.41 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL14039900 | 0.83 | ALDH1A1 (0.50) | SMN1; SMN2ALDH1A1CYP2C9CYP2C19KDM4E | |
| SCHEMBL16200057 | 0.82 | MAPK14 (0.42) | NPC1RAB9AALDH1A1CYP2C9CYP2C19 | |
| SCHEMBL28851687 | 0.80 | P2RX7 (0.43) | P2RX7SMN1; SMN2NPC1RAB9ARXFP1 | |
| SCHEMBL16200063 | 0.79 | ALDH1A1 (0.48) | P2RX7CYP2A6ALDH1A1CYP2A13CYP2E1 | |
| SCHEMBL14039556 | 0.78 | NT5E (0.41) | ALDH1A1PTGS2KDM4ECYP1A2CYP3A4 | |
| SCHEMBL8108697 | 0.78 | SLC34A1 (0.38) | SMN1; SMN2CYP2A6ALDH1A1CYP2C9CYP2C19 | |
| SCHEMBL2690242 | 0.78 | CYP2A6 (0.45) | P2RX7CYP2A6ALDH1A1CYP2A13CYP2E1 | |
| SCHEMBL13683096 | 0.77 | LMNA (0.46) | P2RX7SMN1; SMN2NPC1RAB9ARXFP1 | |
| SCHEMBL2690686 | 0.77 | CYP2A6 (0.44) | P2RX7CYP2A6ALDH1A1CYP2A13CYP2E1 | |
| SCHEMBL16200053 | 0.76 | SLC34A1 (0.44) | P2RX7SMN1; SMN2RAB9APTGS1PTGS2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1720545-B1 | BICYCLIC AND BRIDGED NITROGEN HETEROCYCLES | CHEMOCENTRYX INC (US) | 2014-10-29 | — | — | EP | disclosed |