Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.50 |
| ▸ | NOTUM | Q6P988 | 10/20 | 0.46 |
| ▸ | HPGD | P15428 | 4/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.40 |
| ▸ | TSHR | P16473 | 3/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | CASP1 | P29466 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.34 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.34 |
| ▸ | MAOA | P21397 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.34 |
| ▸ | HTR3A | P46098 | 1/20 | 0.34 |
| ▸ | AHR | P35869 | 4/20 | 0.32 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.32 |
| ▸ | CRHBP | P24387 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL10707500 | 0.78 | HSD17B10 (0.52) | CYP3A4NOTUMHPGDHSD17B10TSHR | |
| SCHEMBL4634857 | 0.78 | NOTUM (0.42) | CYP3A4NOTUMALDH1A1CYP1A2CYP2C9 | |
| SCHEMBL4635500 | 0.77 | NOTUM (0.41) | CYP3A4NOTUMCYP1A2CYP2C9CHRNB2 | |
| SCHEMBL4634621 | 0.77 | NOTUM (0.41) | CYP3A4NOTUMCYP1A2CYP2C9CHRNB2 | |
| SCHEMBL8513191 | 0.74 | NOTUM (0.37) | CYP3A4NOTUM | |
| SCHEMBL9341597 | 0.73 | TDP1 (0.36) | CYP3A4NOTUM | |
| SCHEMBL9340550 | 0.73 | NOTUM (0.38) | NOTUM | |
| SCHEMBL10834370 | 0.73 | NOTUM (0.34) | CYP3A4NOTUM | |
| SCHEMBL9344674 | 0.73 | NOTUM (0.38) | NOTUMALDH1A1 | |
| SCHEMBL7878066 | 0.73 | NOTUM (0.57) | NOTUMCYP1A2CYP2C9CHRNB2CYP2B6 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-100560558-C | A kind of 2,3,5, the preparation method of 6-tetrafluorobenzoic aid | UNIV JINAN (CN) | 2009-11-18 | — | — | CN | disclosed |
| CN-1948263-A | Preparation method of 2,3,5,6-tetrafluoro benzoic acid | UNIV JINAN (CN) | 2007-04-18 | — | — | CN | disclosed |
| EP-0302326-B1 | PROCESS FOR PREPARING FLUORINATED AND OPTIONALLY ALSO CHLORINATED BENZOTRIFLUORIDES, AND BENZOTRIFLUORIDES | BAYER AG (DE) | 1992-04-15 | — | — | EP | disclosed |
| US-4962246-A | INSECTICIDE INTERMEDIATES | BAYER AKTIENGESELLSCHAFT (DE) | 1990-10-09 | — | — | US | disclosed |
| US-4885415-A | HYDROGENATION, DECHLORINATION, CATALYSIS | BAYER AKTIENGESELLSCHAFT (DE) | 1989-12-05 | — | — | US | disclosed |
| EP-0302326-A1 | Process for preparing fluorinated and optionally also chlorinated benzotrifluorides, and benzotrifluorides | BAYER AG (DE) | 1989-02-08 | — | — | EP | disclosed |