Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDH1 | O75874 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.36 |
| ▸ | CDK1 | P06493 | 1/20 | 0.36 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.36 |
| ▸ | GSK3A | P49840 | 1/20 | 0.36 |
| ▸ | GSK3B | P49841 | 1/20 | 0.36 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.36 |
| ▸ | ALKBH3 | Q96Q83 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | ENPP1 | P22413 | 1/20 | 0.35 |
| ▸ | DAO | P14920 | 1/20 | 0.34 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.34 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL27730994 | 0.81 | PNP (0.37) | CCNB2CDK1CCNB1GSK3AGSK3B | |
| SCHEMBL10797942 | 0.81 | GRIN2B (0.42) | IDH1HPGDCCNB2CDK1CCNB1 | |
| SCHEMBL27917903 | 0.81 | CCNB2 (0.36) | HPGDNPC1RAB9ASMN1; SMN2CCNB2 | |
| SCHEMBL27917762 | 0.81 | PDE4A (0.38) | ALDH1A1KDM4EGAA | |
| SCHEMBL24996263 | 0.78 | NOS3 (0.35) | KDM4E | |
| SCHEMBL2490221 | 0.78 | HTT (0.35) | NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E | |
| SCHEMBL27590499 | 0.78 | HCAR2 (0.39) | CCNB2CDK1CCNB1GSK3AGSK3B | |
| SCHEMBL2211448 | 0.74 | KCNH2 (0.37) | HPGDNPC1RAB9ASMN1; SMN2ALDH1A1 | |
| SCHEMBL14953574 | 0.73 | TLR8 (0.42) | — | |
| SCHEMBL3878066 | 0.73 | BCL2 (0.39) | IDH1ALDH1A1KDM4EGAA |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103254132-A | New method for preparing 1,3,5-thriaryl substituted pyrazoline derivant | UNIV ZHEJIANG NORMAL | 2013-08-21 | — | — | CN | disclosed |