Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KAT6A | Q92794 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | ACHE | P22303 | 2/20 | 0.39 |
| ▸ | CES2 | O00748 | 1/20 | 0.37 |
| ▸ | BCHE | P06276 | 1/20 | 0.37 |
| ▸ | CES1 | P23141 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.36 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | MYC | P01106 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CA7 | P43166 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL10526573 | 0.82 | KAT6A (0.47) | KAT6AALDH1A1KDM4EHPGDHSD17B10 | |
| SCHEMBL16958039 | 0.81 | KAT6A (0.42) | KAT6AALDH1A1KDM4EHPGDHSD17B10 | |
| SCHEMBL16958399 | 0.79 | KAT6A (0.45) | KAT6AALDH1A1KDM4EHPGDHSD17B10 | |
| SCHEMBL10644835 | 0.79 | KAT6A (0.49) | KAT6AALDH1A1KDM4EHPGDHSD17B10 | |
| SCHEMBL9311005 | 0.78 | HPGD (0.48) | HPGDCES2CES1HTT | |
| SCHEMBL16955880 | 0.78 | TRPA1 (0.48) | ALDH1A1KDM4EHPGDHSD17B10ACHE | |
| SCHEMBL15694515 | 0.77 | KAT6A (0.44) | KAT6AALDH1A1KDM4EHPGDHSD17B10 | |
| SCHEMBL21181905 | 0.77 | KAT6A (0.41) | KAT6AALDH1A1KDM4EHPGDHSD17B10 | |
| SCHEMBL29945818 | 0.77 | KAT6A (0.47) | KAT6AALDH1A1KDM4EHPGDHSD17B10 | |
| SCHEMBL1642296 | 0.77 | KAT6A (0.47) | KAT6AALDH1A1KDM4EHPGDHSD17B10 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1218372-B1 | NOVEL HETEROCYCLIC COMPOUNDS USEFUL AS REVERSIBLE INHIBITORS OF CYSTEINE PROTEASES | BOEHRINGER INGELHEIM PHARMA (US) | 2003-07-02 | — | — | EP | claimed |
| EP-2900645-A1 | 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION | Bayer CropScience AG (DE) | 2015-08-05 | — | — | EP | disclosed |