Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.41 |
| ▸ | RET | P07949 | 1/20 | 0.40 |
| ▸ | KIF5B | P33176 | 1/20 | 0.40 |
| ▸ | KDR | P35968 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | CASP1 | P29466 | 1/20 | 0.39 |
| ▸ | RECQL | P46063 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
| ▸ | APP | P05067 | 2/20 | 0.38 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.38 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.38 |
| ▸ | MAOB | P27338 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL1702377 | 0.83 | HSD17B10 (0.46) | HSD17B10ALDH1A1CYP3A4TSHRTDP1 | |
| SCHEMBL10001895 | 0.82 | HSD17B10 (0.50) | HSD17B10ALDH1A1CYP3A4TSHRNR1H4 | |
| SCHEMBL856883 | 0.78 | EPHX1 (0.52) | ALDH1A1CYP3A4TP53EPHX1EPHX2 | |
| SCHEMBL84733 | 0.78 | ARG1 (0.48) | HSD17B10ALDH1A1CYP3A4TSHRTDP1 | |
| SCHEMBL30667273 | 0.78 | EPHX1 (0.52) | ALDH1A1CYP3A4TP53EPHX1EPHX2 | |
| SCHEMBL19049142 | 0.77 | ALDH1A1 (0.59) | ALDH1A1CYP3A4KDRHPGDEPHX1 | |
| Bromide SCHEMBL28351801 | 0.76 | ARG1 (0.47) | HSD17B10ALDH1A1CYP3A4TSHRTDP1 | |
| Hydrochloric Acid SCHEMBL27786790 | 0.76 | ARG1 (0.47) | HSD17B10ALDH1A1CYP3A4TSHRTDP1 | |
| Hydrochloric Acid SCHEMBL1027315 | 0.76 | EPHX1 (0.50) | ALDH1A1CYP3A4EPHX1EPHX2APEX1 | |
| SCHEMBL7568541 | 0.76 | HSD17B10 (0.48) | HSD17B10ALDH1A1CYP3A4TSHRTDP1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3331852-B1 | SUBSTITUTED MALONAMIDES AND THEIR USE AS ANTIBACTERIAL DRUGS | UNIV NAT TAIWAN (TW) | 2020-12-23 | — | — | EP | disclosed |
| WO-2014118093-A2 | DYE COMPOSITION COMPRISING AT LEAST ONE PARTICULAR LIPOPHILIC META-AMINOPHENOL COUPLER IN A MEDIUM RICH IN FATTY SUBSTANCES, PROCESSES AND DEVICES | L'OREAL (FR) | 2014-08-07 | — | — | WO | disclosed |