Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.49 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.49 |
| ▸ | TSHR | P16473 | 2/20 | 0.49 |
| ▸ | HPGD | P15428 | 1/20 | 0.49 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.49 |
| ▸ | TXNRD1 | Q16881 | 1/20 | 0.49 |
| ▸ | TXNRD3 | Q86VQ6 | 1/20 | 0.49 |
| ▸ | TXNRD2 | Q9NNW7 | 1/20 | 0.49 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.37 |
| ▸ | EPAS1 | Q99814 | 3/20 | 0.36 |
| ▸ | VEGFA | P15692 | 1/20 | 0.35 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.35 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.34 |
| ▸ | ARNT | P27540 | 1/20 | 0.34 |
| ▸ | AR | P10275 | 6/20 | 0.33 |
| ▸ | SIRT6 | Q8N6T7 | 1/20 | 0.33 |
| ▸ | CES2 | O00748 | 1/20 | 0.33 |
| ▸ | ABCB11 | O95342 | 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 | |
|---|---|---|---|---|
| SCHEMBL7232153 | 0.80 | VCAM1 (0.52) | ALDH1A1TDP1CYP3A4ALOX15TSHR | |
| SCHEMBL29190084 | 0.79 | ALDH1A1 (0.49) | ALDH1A1TDP1CYP3A4ALOX15TSHR | |
| SCHEMBL2287677 | 0.76 | NOTUM (0.33) | — | |
| SCHEMBL29751617 | 0.73 | TSHR (0.59) | ALDH1A1TDP1CYP3A4ALOX15TSHR | |
| SCHEMBL9175349 | 0.73 | TDP1 (0.50) | ALDH1A1TDP1CYP3A4ALOX15TSHR | |
| SCHEMBL147979 | 0.73 | KIF11 (0.41) | ALDH1A1TDP1CYP3A4ALOX15TSHR | |
| SCHEMBL317776 | 0.73 | CYP3A4 (0.42) | ALDH1A1TDP1CYP3A4ALOX15TSHR | |
| SCHEMBL7745645 | 0.73 | TSHR (0.59) | ALDH1A1TDP1CYP3A4ALOX15TSHR | |
| SCHEMBL10414958 | 0.71 | CYP3A4 (0.79) | ALDH1A1TDP1CYP3A4ALOX15TSHR | |
| SCHEMBL1943291 | 0.71 | ALDH1A1 (0.58) | ALDH1A1TDP1CYP3A4ALOX15TSHR |
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-116601150-A | Fused bicyclic RAF inhibitors and methods of use thereof | 爵士制药爱尔兰有限公司 | 2023-08-15 | — | — | CN | disclosed |
| CN-108929329-A | 2- azacyclo- -5- trifluoromethyl -8- nitro benzo (thio) pyrans -4- ketone compounds | 中国医学科学院药物研究所 | 2018-12-04 | — | — | CN | disclosed |