Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 3/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 2/20 | 0.35 |
| ▸ | SPR | P35270 | 1/20 | 0.35 |
| ▸ | CNR1 | P21554 | 1/20 | 0.35 |
| ▸ | BRD4 | O60885 | 1/20 | 0.35 |
| ▸ | BRD2 | P25440 | 1/20 | 0.35 |
| ▸ | BRD3 | Q15059 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 2/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.35 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | GFER | P55789 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL21402168 | 0.89 | NOTUM (0.38) | ALDH1A1HPGDMAPK1NOTUMSPR | |
| SCHEMBL9895440 | 0.89 | IDO1 (0.41) | ALDH1A1HPGDHTTBRD4BRD2 | |
| SCHEMBL9895332 | 0.87 | SPR (0.38) | ALDH1A1NOTUMSPRKDM4AKDM5A | |
| SCHEMBL9895495 | 0.81 | SPR (0.37) | SPR | |
| SCHEMBL9896773 | 0.77 | GABRA5 (0.37) | HTTSPRGAA | |
| SCHEMBL9895210 | 0.77 | PTGS2 (0.46) | PTGS2ALDH1A1HPGDNPC1RAB9A | |
| SCHEMBL21416227 | 0.75 | ALDH1A1 (0.45) | ALDH1A1HPGDRAB9ASMN1; SMN2 | |
| SCHEMBL9896578 | 0.75 | LMNA (0.38) | PTGS2SPRBRD4BRD2BRD3 | |
| SCHEMBL9895387 | 0.74 | CNR2 (0.40) | HTTSPRCNR1NPC1RAB9A | |
| SCHEMBL28807048 | 0.74 | PTGS2 (0.39) | PTGS2ALDH1A1HPGDHTTTP53 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2649064-B1 | NOVEL TRIAZOLE COMPOUNDS III | HOFFMANN LA ROCHE (CH) | 2019-10-02 | — | — | EP | claimed |
| EP-2649064-A1 | NOVEL TRIAZOLE COMPOUNDS III | F. Hoffmann-La Roche AG (CH) | 2013-10-16 | — | — | EP | disclosed |
| WO-2012076590-A1 | NOVEL TRIAZOLE COMPOUNDS III | F. HOFFMANN-LA ROCHE AG (CH) | 2012-06-14 | — | — | WO | disclosed |