Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NQO2 | P16083 | 1/20 | 0.50 |
| ▸ | ABL1 | P00519 | 1/20 | 0.49 |
| ▸ | RET | P07949 | 1/20 | 0.49 |
| ▸ | KDR | P35968 | 1/20 | 0.49 |
| ▸ | CDK7 | P50613 | 1/20 | 0.49 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.49 |
| ▸ | PRKAA1 | Q13131 | 1/20 | 0.49 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.49 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 4/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | IKBKB | O14920 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL14330664 | 0.92 | NQO2 (0.50) | NQO2ABL1RETKDRCDK7 | |
| SCHEMBL8344116 | 0.79 | CYP1A2 (0.54) | NQO2CDK5ALDH1A1KDM4EL3MBTL1 | |
| SCHEMBL30578800 | 0.79 | CYP1A2 (0.54) | NQO2CDK5ALDH1A1KDM4EL3MBTL1 | |
| SCHEMBL29639029 | 0.79 | CYP1A2 (0.54) | NQO2CDK5ALDH1A1KDM4EL3MBTL1 | |
| SCHEMBL26919701 | 0.79 | HTT (0.44) | ABL1RETKDRCDK7CDK5 | |
| SCHEMBL26790744 | 0.77 | ALDH1A1 (0.47) | NQO2ALDH1A1KDM4EL3MBTL1MAPT | |
| SCHEMBL28286272 | 0.77 | ALDH1A1 (0.57) | NQO2ABL1RETKDRCDK7 | |
| SCHEMBL6845013 | 0.76 | BACE1 (0.55) | NQO2ALDH1A1KDM4EL3MBTL1MAPT | |
| SCHEMBL19001534 | 0.76 | NQO2 (0.50) | NQO2ALDH1A1KDM4EL3MBTL1MAPT | |
| SCHEMBL1256925 | 0.76 | FGFR3 (0.46) | KDRALDH1A1KDM4EMAPTCYP1A2 |
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-2321296-A1 | SUBSTITUTED 5-AMINOPYRAZOLES AND USE THEREOF | Bayer Schering Pharma Aktiengesellschaft (DE) | 2011-05-18 | — | — | EP | disclosed |
| WO-2010020363-A1 | SUBSTITUTED 5-AMINOPYRAZOLES AND USE THEREOF | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2010-02-25 | — | — | WO | disclosed |