Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8530898 | 0.81 | ALDH1A1 (0.32) | CYP3A4TSHRTDP1 | |
| SCHEMBL8525893 | 0.81 | CYP3A4 (0.33) | CYP3A4TSHRMAPK1TDP1 | |
| SCHEMBL8728803 | 0.81 | TSHR (0.38) | CYP3A4TSHRMAPK1TDP1 | |
| SCHEMBL6889568 | 0.80 | CYP3A4 (0.31) | CYP3A4TSHRMAPK1TDP1 | |
| SCHEMBL18167294 | 0.76 | TSHR (0.38) | CYP3A4TSHRMAPK1TDP1 | |
| SCHEMBL2931707 | 0.76 | CA1 (0.38) | CYP3A4 | |
| SCHEMBL8974765 | 0.73 | CYP3A4 (0.34) | CYP3A4TSHRMAPK1TDP1 | |
| SCHEMBL10742911 | 0.71 | EPAS1 (0.33) | CYP3A4TSHRTDP1 | |
| SCHEMBL8160044 | 0.71 | CYP3A4 (0.43) | CYP3A4TSHRMAPK1TDP1 | |
| SCHEMBL7057611 | 0.70 | TSHR (0.46) | CYP3A4TSHRMAPK1TDP1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0725050-B1 | Process for the preparation of nuclear halides of benzotrichlorides from the corresponding benzotrifluorides | BAYER AG (DE) | 1998-12-30 | — | — | EP | disclosed |
| US-5672791-A | Process for the preparation of nuclear-halogenated benzotrichlorides from the corresponding benzotrifluorides | BAYER AKTIENGESELLSCHAFT (DE) | 1997-09-30 | — | — | US | disclosed |
| EP-0725050-A1 | Process for the preparation of nuclear halides of benzotrichlorides from the corresponding benzotrifluorides | BAYER AG (DE) | 1996-08-07 | — | — | EP | disclosed |