Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.41 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.41 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.41 |
| ▸ | CHRNB3 | Q05901 | 1/20 | 0.41 |
| ▸ | CHRNA6 | Q15825 | 1/20 | 0.41 |
| ▸ | FAAH | O00519 | 1/20 | 0.38 |
| ▸ | EPHX2 | P34913 | 4/20 | 0.38 |
| ▸ | NAMPT | P43490 | 1/20 | 0.37 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | NPY5R | Q15761 | 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 | |
|---|---|---|---|---|
| SCHEMBL20635825 | 0.82 | MEN1 (0.43) | MEN1ALDH1A1KMT2ACHRNB2CHRNA3 | |
| SCHEMBL22874730 | 0.79 | MEN1 (0.38) | MEN1ALDH1A1KMT2AEPHX2 | |
| SCHEMBL2739929 | 0.77 | MEN1 (0.48) | MEN1ALDH1A1KMT2ACHRNB2CHRNA3 | |
| SCHEMBL18704630 | 0.77 | CYP1A2 (0.44) | EPHX2 | |
| SCHEMBL18711389 | 0.77 | MEN1 (0.48) | MEN1ALDH1A1KMT2ACHRNB2CHRNA3 | |
| SCHEMBL1008489 | 0.77 | ALDH1A1 (0.35) | MEN1ALDH1A1KMT2AHRH3CYP2D6 | |
| SCHEMBL2606047 | 0.77 | ALDH1A1 (0.70) | MEN1ALDH1A1KMT2ACHRNB2CHRNA3 | |
| SCHEMBL619146 | 0.77 | MEN1 (0.48) | MEN1ALDH1A1KMT2ACHRNB2CHRNA3 | |
| SCHEMBL19429590 | 0.75 | MEN1 (0.47) | MEN1ALDH1A1KMT2ACHRNB2CHRNA3 | |
| SCHEMBL2603237 | 0.75 | MEN1 (0.47) | MEN1ALDH1A1KMT2ACHRNB2CHRNA3 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020238785-A1 | METHYL- AND TRIFLUOROMETHYL-CONTAINING DISUBSTITUTED SULFONAMIDE SELECTIVE BCL-2 INHIBITOR | 正大天晴药业集团股份有限公司 | 2020-12-03 | — | — | WO | disclosed |
| US-9573958-B2 | Benzimidazole derivatives as ITK inhibitors | PRINCIPIA BIOPHARMA, INC. (US) | 2017-02-21 | — | — | US | disclosed |