Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM1A | O60341 | 2/20 | 0.42 |
| ▸ | HCAR1 | Q9BXC0 | 1/20 | 0.39 |
| ▸ | NT5E | P21589 | 1/20 | 0.39 |
| ▸ | APP | P05067 | 1/20 | 0.36 |
| ▸ | NPFFR1 | Q9GZQ6 | 1/20 | 0.35 |
| ▸ | NPFFR2 | Q9Y5X5 | 1/20 | 0.35 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | MTOR | P42345 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.32 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.32 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.31 |
| ▸ | MAOA | P21397 | 1/20 | 0.31 |
| ▸ | MAOB | P27338 | 1/20 | 0.31 |
| ▸ | CDK1 | P06493 | 1/20 | 0.31 |
| ▸ | CDK4 | P11802 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL207592 | 0.80 | ERN1 (0.47) | KDM1AHCAR1NT5EAPPALDH1A1 | |
| SCHEMBL1130682 | 0.78 | IDO1 (0.42) | HCAR1APP | |
| SCHEMBL4076004 | 0.78 | CES2 (0.46) | HCAR1APPKDM4E | |
| SCHEMBL3702783 | 0.76 | APP (0.51) | APPALDH1A1LMNAHTTMAOB | |
| SCHEMBL21880623 | 0.76 | SMN1; SMN2 (0.38) | APPKDM4ELMNAHTTNCOA1 | |
| SCHEMBL9996387 | 0.76 | HCAR1 (0.39) | HCAR1APPKDM4EALDH1A1 | |
| SCHEMBL2790893 | 0.76 | GAA (0.55) | APPKDM4EALDH1A1HPGD | |
| SCHEMBL30950877 | 0.76 | GAA (0.55) | APPKDM4EALDH1A1HPGD | |
| SCHEMBL1436520 | 0.76 | HPGD (0.44) | KDM1AHCAR1NT5EAPPNPFFR1 | |
| SCHEMBL1436519 | 0.76 | HPGD (0.44) | KDM1AHCAR1NT5EAPPNPFFR1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-109880065-B | Conjugated polymer containing trifluoromethyl as well as preparation method and application thereof | 中国科学院化学研究所 | 2020-05-26 | — | — | CN | disclosed |
| WO-2011103063-A1 | THERAPEUTIC COMPOUNDS | GLAXO GROUP LIMITED (GB) | 2011-08-25 | — | — | WO | disclosed |