Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | KIF11 | P52732 | 2/20 | 0.41 |
| ▸ | BACE1 | P56817 | 2/20 | 0.40 |
| ▸ | CES2 | O00748 | 1/20 | 0.40 |
| ▸ | CES1 | P23141 | 1/20 | 0.40 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 1/20 | 0.40 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.40 |
| ▸ | TRPV6 | Q9H1D0 | 1/20 | 0.40 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.40 |
| ▸ | PPARG | P37231 | 1/20 | 0.39 |
| ▸ | PPARA | Q07869 | 1/20 | 0.39 |
| ▸ | GSK3B | P49841 | 2/20 | 0.39 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.39 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.38 |
| ▸ | ACP3 | P15309 | 1/20 | 0.38 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL28819288 | 0.75 | PTPN1 (0.39) | ALDH1A1TSHRRAB9ANPC1CES1 | |
| SCHEMBL28143221 | 0.75 | ALDH1A1 (0.54) | ALDH1A1TSHRRAB9ANPC1KIF11 | |
| SCHEMBL73257 | 0.74 | CYP1A2 (0.52) | ALDH1A1TSHRCES1PTPN1MAPT | |
| SCHEMBL10334581 | 0.70 | KCNN4 (0.53) | ALDH1A1TSHRRAB9ANPC1KIF11 | |
| Trifluoromethylbenzene SCHEMBL28325249 | 0.69 | ALDH1A1 (0.70) | ALDH1A1TSHRRAB9ANPC1KIF11 | |
| Trifluoromethylbenzene SCHEMBL28340462 | 0.69 | TSHR (0.78) | ALDH1A1TSHRRAB9ANPC1KIF11 | |
| Trifluoromethylbenzene SCHEMBL7209775 | 0.69 | TSHR (0.61) | ALDH1A1TSHRRAB9ANPC1KIF11 | |
| Trifluoromethylbenzene SCHEMBL4867878 | 0.69 | TSHR (0.88) | ALDH1A1TSHRRAB9ANPC1KIF11 | |
| Trifluoromethylbenzene SCHEMBL8692 | 0.68 | TSHR (1.00) | ALDH1A1TSHRRAB9ANPC1KIF11 | |
| Trifluoromethylbenzene SCHEMBL175647 | 0.68 | TSHR (1.00) | ALDH1A1TSHRRAB9ANPC1KIF11 |
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 |
|---|---|---|---|---|---|---|---|
| CN-106715413-B | piperazine derivatives as liver X receptor modulators | VITAE PHARMACEUTICALS, INC. (US) | 2019-11-01 | — | — | CN | disclosed |