Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGER4 | P35408 | 3/20 | 0.43 |
| ▸ | MAPT | P10636 | 4/20 | 0.42 |
| ▸ | RXFP1 | Q9HBX9 | 2/20 | 0.42 |
| ▸ | KIF11 | P52732 | 2/20 | 0.40 |
| ▸ | TP53 | P04637 | 2/20 | 0.40 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | AHR | P35869 | 1/20 | 0.36 |
| ▸ | NQO2 | P16083 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.34 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.34 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.34 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.34 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.34 |
| ▸ | PSENEN | Q9NZ42 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL9754492 | 0.79 | MAPT (0.49) | MAPTRXFP1TP53KDM4EALDH1A1 | |
| SCHEMBL718797 | 0.75 | PTGER4 (0.64) | PTGER4MAPTKDM4EALDH1A1NQO2 | |
| SCHEMBL29570020 | 0.75 | PTGER4 (0.64) | PTGER4MAPTKDM4EALDH1A1NQO2 | |
| SCHEMBL17281048 | 0.74 | TP53 (0.43) | MAPTRXFP1TP53KDM4EALDH1A1 | |
| SCHEMBL17281061 | 0.73 | MAOB (0.43) | MAPTRXFP1TP53KDM4EALDH1A1 | |
| SCHEMBL13183677 | 0.72 | ALKBH5 (0.50) | MAPTRXFP1KIF11TP53KDM4E | |
| SCHEMBL31711447 | 0.72 | CYP2A6 (0.53) | PTGER4MAPTKIF11CYP2A6KDM4E | |
| SCHEMBL12170772 | 0.72 | MAPT (0.49) | MAPTRXFP1TP53KDM4EALDH1A1 | |
| SCHEMBL2713434 | 0.72 | CYP2A6 (0.53) | PTGER4MAPTKIF11CYP2A6KDM4E | |
| SCHEMBL6860177 | 0.71 | GPR3 (0.54) | MAPTKIF11CYP2A6KDM4EALDH1A1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1991014688-A1 | HETERO POLYCYCLIC BIOCIDAL COMPOUNDS AND THEIR USE IN MEDECINE | THE WELLCOME FOUNDATION LIMITED (GB) | 1991-10-03 | — | — | WO | disclosed |
| EP-0447703-A1 | Hetero polycyclic biocidal compounds, their synthesis and intermediates therefor,formulations containing them and their use in medicine | THE WELLCOME FOUNDATION LIMITED (GB) | 1991-09-25 | — | — | EP | disclosed |
| US-4999369-A | Antitumor agents | BURROUGHS WELLCOME CO. (US) | 1991-03-12 | — | — | US | disclosed |
| US-4910218-A | With a hydroxy containing secondary amine group | BURROUGHS WELLCOME CO. (US) | 1990-03-20 | — | — | US | disclosed |