Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.55 |
| ▸ | GAA | P10253 | 2/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.55 |
| ▸ | HPGD | P15428 | 1/20 | 0.55 |
| ▸ | CFTR | P13569 | 2/20 | 0.50 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 1/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.49 |
| ▸ | ASAH1 | Q13510 | 6/20 | 0.47 |
| ▸ | CASP1 | P29466 | 2/20 | 0.44 |
| ▸ | CASP7 | P55210 | 2/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | USP2 | O75604 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | GLA | P06280 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL13502463 | 0.80 | ALDH1A1 (0.55) | ALDH1A1GAAKDM4EHPGDCFTR | |
| SCHEMBL13502539 | 0.78 | KDM4E (0.59) | ALDH1A1GAAKDM4EHPGDCFTR | |
| SCHEMBL3587111 | 0.77 | ALDH1A1 (0.61) | ALDH1A1GAAKDM4EHPGDCFTR | |
| SCHEMBL3588982 | 0.75 | ALDH1A1 (0.56) | ALDH1A1GAAKDM4EHPGDCFTR | |
| SCHEMBL8219402 | 0.75 | L3MBTL1 (0.66) | ALDH1A1GAAKDM4EHTTRAB9A | |
| SCHEMBL10551003 | 0.74 | ASAH1 (0.47) | ALDH1A1GAAKDM4ERAB9AL3MBTL1 | |
| SCHEMBL8217979 | 0.73 | HTT (0.41) | ALDH1A1GAAKDM4EHPGDHTT | |
| SCHEMBL9578798 | 0.72 | TSHR (0.78) | ALDH1A1KDM4ERAB9AL3MBTL1ASAH1 | |
| SCHEMBL14006985 | 0.71 | ALDH1A1 (1.00) | ALDH1A1GAAKDM4EHPGDCFTR | |
| SCHEMBL1963901 | 0.70 | CFTR (0.66) | ALDH1A1GAAKDM4EHPGDCFTR |
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-2008023357-A1 | HETEROCYCLIC DERIVATIVES BINDING TO THE PERIPHERAL-TYPE BENZODIAZEPINE RECEPTOR (PBR) | TECHNION RESEARCH AND DEVELOPMENT FOUNDATION LTD. (IL) | 2008-02-28 | — | — | WO | disclosed |