Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.61 |
| ▸ | TSHR | P16473 | 1/20 | 0.61 |
| ▸ | KIF11 | P52732 | 1/20 | 0.46 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.41 |
| ▸ | BACE1 | P56817 | 2/20 | 0.40 |
| ▸ | MAOB | P27338 | 2/20 | 0.40 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.40 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.40 |
| ▸ | TRPV6 | Q9H1D0 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.39 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.39 |
| ▸ | NR4A3 | Q92570 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.38 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.38 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.38 |
| ▸ | ACP3 | P15309 | 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 | |
|---|---|---|---|---|
| Trifluoromethylbenzene SCHEMBL27521972 | 0.84 | ALDH1A1 (0.70) | ALDH1A1TSHRKIF11BACE1MAOB | |
| Trifluoromethylbenzene SCHEMBL27732995 | 0.84 | ALDH1A1 (0.78) | ALDH1A1TSHRKIF11KCNN4BACE1 | |
| Trifluoromethylbenzene SCHEMBL7209775 | 0.83 | TSHR (0.61) | ALDH1A1TSHRKIF11BACE1MAOB | |
| Trifluoromethylbenzene SCHEMBL28313881 | 0.82 | ALDH1A1 (0.67) | ALDH1A1TSHRKIF11BACE1MAOB | |
| Trifluoromethylbenzene SCHEMBL28242172 | 0.81 | TSHR (0.74) | ALDH1A1TSHRKIF11KCNN4BACE1 | |
| Tert-Butylbenzene SCHEMBL28082135 | 0.80 | MAPK1 (0.44) | ALDH1A1TSHRKIF11KCNN4RAB9A | |
| Trifluoromethylbenzene SCHEMBL27669955 | 0.79 | ALDH1A1 (0.70) | ALDH1A1TSHRKIF11BACE1MAOB | |
| Trifluoromethylbenzene SCHEMBL27950838 | 0.79 | TSHR (0.70) | ALDH1A1TSHRKIF11BACE1MAOB | |
| Trifluoromethylbenzene SCHEMBL21879063 | 0.78 | TSHR (0.88) | ALDH1A1TSHRKIF11KCNN4BACE1 | |
| Trifluoromethylbenzene SCHEMBL4867878 | 0.78 | TSHR (0.88) | ALDH1A1TSHRKIF11KCNN4BACE1 |
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-107142005-A | A kind of antifouling plastics put the preparation method of glass box | 马鞍山瑞美塑业有限公司 | 2017-09-08 | — | — | CN | claimed |