Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.32 |
| ▸ | TXNRD1 | Q16881 | 1/20 | 0.32 |
| ▸ | TXNRD3 | Q86VQ6 | 1/20 | 0.32 |
| ▸ | TXNRD2 | Q9NNW7 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.32 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.32 |
| ▸ | KIF11 | P52732 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL10742911 | 0.86 | EPAS1 (0.33) | ALDH1A1CYP3A4HPGDALOX15TSHR | |
| SCHEMBL10738147 | 0.81 | EPAS1 (0.33) | CYP11B1CYP11B2KIF11 | |
| SCHEMBL3175500 | 0.81 | NOTUM (0.33) | — | |
| SCHEMBL8530933 | 0.81 | CYP3A4 (0.33) | CYP3A4TSHRTDP1 | |
| SCHEMBL3687267 | 0.77 | KIF11 (0.34) | TSHRKIF11 | |
| SCHEMBL30741240 | 0.77 | KIF11 (0.34) | TSHRKIF11 | |
| SCHEMBL465082 | 0.76 | KIF11 (0.34) | CYP11B1CYP11B2KIF11 | |
| SCHEMBL2931707 | 0.76 | CA1 (0.38) | ALDH1A1CYP3A4 | |
| SCHEMBL25791363 | 0.73 | KIF11 (0.32) | CYP11B2KIF11 | |
| SCHEMBL8159986 | 0.71 | EPAS1 (0.36) | CYP11B1CYP11B2KIF11 |
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 |