Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.78 |
| ▸ | TSHR | P16473 | 2/20 | 0.78 |
| ▸ | KIF11 | P52732 | 1/20 | 0.56 |
| ▸ | TRPV6 | Q9H1D0 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.46 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.44 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.44 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.44 |
| ▸ | KCNN4 | O15554 | 3/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | BACE1 | P56817 | 2/20 | 0.42 |
| ▸ | TACR1 | P25103 | 1/20 | 0.42 |
| ▸ | IDO1 | P14902 | 1/20 | 0.41 |
| ▸ | TDO2 | P48775 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | AHR | P35869 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| Trifluoromethylbenzene SCHEMBL4867878 | 0.88 | TSHR (0.88) | ALDH1A1TSHRKIF11TRPV6MAPK1 | |
| Trifluoromethylbenzene SCHEMBL21879063 | 0.88 | TSHR (0.88) | ALDH1A1TSHRKIF11TRPV6MAPK1 | |
| Trifluoromethylbenzene SCHEMBL27760126 | 0.88 | TSHR (1.00) | ALDH1A1TSHRKIF11TRPV6MAPK1 | |
| Trifluoromethylbenzene SCHEMBL8692 | 0.88 | TSHR (1.00) | ALDH1A1TSHRKIF11TRPV6MAPK1 | |
| Trifluoromethylbenzene SCHEMBL175647 | 0.88 | TSHR (1.00) | ALDH1A1TSHRKIF11TRPV6MAPK1 | |
| Trifluoromethylbenzene SCHEMBL28247253 | 0.87 | TSHR (0.67) | ALDH1A1TSHRKIF11TRPV6MAPK1 | |
| Trifluoromethylbenzene SCHEMBL11580827 | 0.86 | TSHR (0.82) | ALDH1A1TSHRKIF11TRPV6MAPK1 | |
| Trifluoromethylbenzene SCHEMBL5311703 | 0.86 | ALDH1A1 (0.82) | ALDH1A1TSHRKIF11TRPV6CYP19A1 | |
| Trifluoromethylbenzene SCHEMBL18787459 | 0.86 | TSHR (0.82) | ALDH1A1TSHRKIF11TRPV6MAPK1 | |
| Trifluoromethylbenzene SCHEMBL14121761 | 0.85 | TSHR (0.93) | ALDH1A1TSHRKIF11TRPV6MAPK1 |
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-101243092-A | Cripowellins and synthetic derivatives thereof used as medicaments | BAYER CROPSCIENCE AG (DE) | 2008-08-13 | — | — | CN | disclosed |