Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.54 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.49 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.49 |
| ▸ | BCL6 | P41182 | 1/20 | 0.46 |
| ▸ | KIF11 | P52732 | 1/20 | 0.43 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | APP | P05067 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.39 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.39 |
| ▸ | DPP4 | P27487 | 1/20 | 0.39 |
| ▸ | MET | P08581 | 1/20 | 0.39 |
| ▸ | DHFR | P00374 | 1/20 | 0.39 |
| ▸ | IDH2 | P48735 | 1/20 | 0.39 |
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 SCHEMBL27850302 | 0.88 | KDM4E (0.48) | TSHRALDH1A1KDM4EADORA2AADORA1 | |
| Trifluoromethylbenzene SCHEMBL28051440 | 0.87 | TSHR (0.67) | TSHRALDH1A1KDM4EADORA2AADORA1 | |
| Trifluoromethylbenzene SCHEMBL28051441 | 0.84 | TSHR (0.56) | TSHRALDH1A1KDM4EADORA2AADORA1 | |
| Trifluoromethylbenzene SCHEMBL28051499 | 0.84 | KDM4E (0.58) | TSHRALDH1A1KDM4EADORA2AADORA1 | |
| SCHEMBL29807851 | 0.79 | KDM4E (0.43) | TSHRALDH1A1KDM4EADORA2AADORA1 | |
| Benzene SCHEMBL29138620 | 0.78 | BCL6 (0.52) | KDM4EADORA2AADORA1BCL6 | |
| Biphenyl SCHEMBL27987857 | 0.76 | ADORA2A (0.56) | ALDH1A1KDM4EADORA2AADORA1BCL6 | |
| Aniline SCHEMBL28021586 | 0.76 | TSHR (0.55) | TSHRKDM4EADORA2AADORA1BCL6 | |
| Trifluoromethylbenzene SCHEMBL28143223 | 0.75 | TSHR (0.88) | TSHRALDH1A1KIF11CYP19A1MAPK1 | |
| Trifluoromethylbenzene SCHEMBL8692 | 0.75 | TSHR (1.00) | TSHRALDH1A1KIF11CYP19A1MAPK1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103254144-B | A kind of cyanuric chloride derivant and its preparation method and application | WUHAN INSTITUTE OF TECHNOLOGY (CN) | 2015-10-28 | — | — | CN | claimed |
| CN-103254144-B | A kind of cyanuric chloride derivant and its preparation method and application | WUHAN INSTITUTE OF TECHNOLOGY (CN) | 2015-10-28 | — | — | CN | disclosed |
| CN-103254144-B | A kind of cyanuric chloride derivant and its preparation method and application | WUHAN INSTITUTE OF TECHNOLOGY (CN) | 2015-10-28 | — | — | CN | disclosed |