Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.54 |
| ▸ | TSHR | P16473 | 2/20 | 0.54 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.43 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | GLA | P06280 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | APP | P05067 | 2/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | KIF11 | P52732 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.39 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.38 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.38 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.38 |
| ▸ | DPP4 | P27487 | 1/20 | 0.38 |
| ▸ | IDH2 | P48735 | 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 SCHEMBL28051440 | 0.86 | TSHR (0.67) | ALDH1A1TSHRADORA2AADORA1KDM4E | |
| Trifluoromethylbenzene SCHEMBL27916783 | 0.85 | LMNA (0.50) | ALDH1A1TSHRKDM4ELMNAHPGD | |
| Trifluoromethylbenzene SCHEMBL27850302 | 0.82 | KDM4E (0.48) | ALDH1A1TSHRADORA2AADORA1KDM4E | |
| Trifluoromethylbenzene SCHEMBL27935510 | 0.81 | LMNA (0.47) | KDM4ELMNAHPGDSMN1; SMN2APP | |
| Trifluoromethylbenzene SCHEMBL28797174 | 0.80 | APP (0.53) | ALDH1A1KDM4ELMNAHPGDAPP | |
| Trifluoromethylbenzene SCHEMBL2169987 | 0.76 | TSHR (0.93) | ALDH1A1TSHRKIF11MAPK1MAPT | |
| Trifluoromethylbenzene SCHEMBL8863222 | 0.76 | TSHR (0.93) | ALDH1A1TSHRKIF11MAPK1MAPT | |
| Trifluoromethylbenzene SCHEMBL28037899 | 0.74 | TSHR (0.56) | ALDH1A1TSHRADORA2AADORA1KDM4E | |
| Trifluoromethylbenzene SCHEMBL28143223 | 0.73 | TSHR (0.88) | ALDH1A1TSHRKIF11MAPK1CYP19A1 | |
| Trifluoromethylbenzene SCHEMBL4867878 | 0.73 | TSHR (0.88) | ALDH1A1TSHRKIF11MAPK1MAPT |
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 |
|---|---|---|---|---|---|---|---|
| CN-102442960-B | Cyanuric chloride derivative as well as preparation method and application thereof | WUHAN INST TECHNOLOGY | 2014-12-24 | — | — | CN | claimed |
| CN-102442960-B | Cyanuric chloride derivative as well as preparation method and application thereof | WUHAN INST TECHNOLOGY | 2014-12-24 | — | — | CN | disclosed |