Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.56 |
| ▸ | LMNA | P02545 | 2/20 | 0.51 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.51 |
| ▸ | CA1 | P00915 | 3/20 | 0.44 |
| ▸ | CA2 | P00918 | 3/20 | 0.44 |
| ▸ | CA12 | O43570 | 2/20 | 0.44 |
| ▸ | CA4 | P22748 | 2/20 | 0.44 |
| ▸ | CA6 | P23280 | 2/20 | 0.44 |
| ▸ | CA7 | P43166 | 2/20 | 0.44 |
| ▸ | CA9 | Q16790 | 2/20 | 0.44 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.44 |
| ▸ | CA3 | P07451 | 1/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | CA5A | P35218 | 1/20 | 0.44 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL668838 | 0.88 | KDM4E (0.69) | KDM4EALDH1A1LMNATDP1CA1 | |
| SCHEMBL1291177 | 0.83 | KDM4E (0.58) | KDM4EALDH1A1LMNATDP1CA1 | |
| SCHEMBL2857162 | 0.80 | TSHR (0.54) | KDM4EALDH1A1LMNATDP1CA1 | |
| SCHEMBL31550344 | 0.79 | ALDH1A1 (0.58) | KDM4EALDH1A1LMNATDP1CA1 | |
| SCHEMBL5365414 | 0.79 | ALDH1A1 (0.58) | KDM4EALDH1A1LMNATDP1CA1 | |
| SCHEMBL30340556 | 0.79 | KDM4E (0.53) | KDM4EALDH1A1LMNATDP1CA1 | |
| SCHEMBL19330200 | 0.79 | KDM4E (0.53) | KDM4EALDH1A1LMNATDP1CA1 | |
| SCHEMBL11336416 | 0.78 | KDM4E (0.56) | KDM4EALDH1A1LMNATDP1CA1 | |
| SCHEMBL4595561 | 0.78 | ALDH1A1 (0.56) | KDM4EALDH1A1LMNATDP1CA1 | |
| SCHEMBL837798 | 0.78 | ALDH1A1 (0.56) | KDM4EALDH1A1LMNATDP1CA1 |
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-109923116-A | [1,2,4] triazol [1,5-A] pyrimidine derivatives as PDE2 inhibitor | 詹森药业有限公司 | 2019-06-21 | — | — | CN | disclosed |