Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 2/20 | 0.51 |
| ▸ | CA9 | Q16790 | 2/20 | 0.51 |
| ▸ | CA1 | P00915 | 1/20 | 0.51 |
| ▸ | CA2 | P00918 | 1/20 | 0.51 |
| ▸ | ERN1 | O75460 | 5/20 | 0.50 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.49 |
| ▸ | ASH1L | Q9NR48 | 1/20 | 0.48 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | GLA | P06280 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | CASP1 | P29466 | 1/20 | 0.46 |
| ▸ | CASP7 | P55210 | 1/20 | 0.46 |
| ▸ | ATM | Q13315 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL396896 | 0.88 | CA12 (0.54) | CA12CA9CA1CA2ERN1 | |
| SCHEMBL6736858 | 0.85 | EGFR (0.56) | CA12CA9CA1CA2ERN1 | |
| SCHEMBL28409132 | 0.82 | ERN1 (0.50) | CA12CA9CA1CA2ERN1 | |
| SCHEMBL29629597 | 0.81 | KMO (0.53) | CA12CA9CA1CA2ERN1 | |
| SCHEMBL407806 | 0.81 | KMO (0.53) | CA12CA9CA1CA2ERN1 | |
| SCHEMBL16749656 | 0.81 | CA12 (0.58) | CA12CA9CA1CA2ERN1 | |
| SCHEMBL6082886 | 0.80 | EGFR (0.57) | CA12CA9CA1CA2ERN1 | |
| Bromide SCHEMBL1706405 | 0.80 | KMO (0.51) | CA12CA9CA1CA2ERN1 | |
| Hydrochloric Acid SCHEMBL4861328 | 0.80 | KMO (0.51) | CA12CA9CA1CA2ERN1 | |
| SCHEMBL28755028 | 0.80 | TSHR (0.60) | CA12CA9CA1CA2ERN1 |
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-2441457-A1 | SALTS OF BICYCLO-SUBSTITUTED PYRAZOLON AZO DERIVATIVES, PREPARATION METHOD AND USE THEREOF | Jiangsu Hengrui Medicine Co., Ltd. (CN) | 2012-04-18 | — | — | EP | disclosed |
| EP-2236500-A1 | BICYCLO-SUBSTITUTED PYRAZOLON AZO DERIVATIVES, PREPARATION PROCESS AND PHARMACEUTICAL USE THEREOF | Jiangsu Hengrui Medicine Co., Ltd. (CN) | 2010-10-06 | — | — | EP | disclosed |