Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 1/20 | 0.36 |
| ▸ | DHFR | P00374 | 3/20 | 0.34 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.32 |
| ▸ | HSP90AB1 | P08238 | 2/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | TTR | P02766 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.30 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.30 |
| ▸ | PPARG | P37231 | 1/20 | 0.30 |
| ▸ | HTR2B | P41595 | 1/20 | 0.30 |
| ▸ | PPARA | Q07869 | 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 | |
|---|---|---|---|---|
| SCHEMBL12827315 | 0.88 | DHFR (0.37) | MAOADHFRHSP90AA1HSP90AB1KCNH2 | |
| SCHEMBL3342257 | 0.77 | MAOA (0.35) | MAOADHFRHSP90AA1HSP90AB1ALDH1A1 | |
| SCHEMBL91154 | 0.76 | SMN1; SMN2 (0.48) | TDP1KDM4EALDH1A1LMNANPC1 | |
| SCHEMBL1099695 | 0.76 | CA12 (0.36) | MAOADHFRALDH1A1NPC1CYP2C9 | |
| SCHEMBL21331704 | 0.75 | MAOA (0.42) | MAOADHFRKDM4EALDH1A1LMNA | |
| SCHEMBL3342137 | 0.74 | MAOA (0.38) | MAOADHFRALDH1A1LMNANPC1 | |
| SCHEMBL3341076 | 0.73 | L3MBTL1 (0.48) | MAOAKDM4EALDH1A1NPC1CYP2C9 | |
| SCHEMBL10280519 | 0.73 | PRSS1 (0.40) | KDM4EALDH1A1LMNANPC1CYP1A2 | |
| SCHEMBL13884174 | 0.72 | CYP1A2 (0.54) | TDP1KDM4EALDH1A1LMNACYP1A2 | |
| SCHEMBL91239 | 0.72 | FFAR1 (0.40) | TDP1NPC1TTRCYP1A2CYP2C8 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011033055-A1 | FUSED TRIAZOLE AMINES AS P2X7 MODULATORS | F. HOFFMANN-LA ROCHE AG (CH) | 2011-03-24 | — | — | WO | disclosed |