Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.33 |
| ▸ | METAP2 | P50579 | 1/20 | 0.33 |
| ▸ | NAMPT | P43490 | 1/20 | 0.32 |
| ▸ | USP2 | O75604 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | MMP9 | P14780 | 1/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.31 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | IDO1 | P14902 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL7400833 | 0.72 | CYP1A2 (0.34) | KDM4EALDH1A1USP2LMNAMMP9 | |
| SCHEMBL25321212 | 0.67 | KCNH2 (0.44) | KDM4EALDH1A1TDP1USP2LMNA | |
| SCHEMBL18326358 | 0.67 | APLNR (0.40) | LMNANFE2L2CYP3A4 | |
| SCHEMBL615172 | 0.67 | SYK (0.35) | KDM4EALDH1A1NAMPTUSP2LMNA | |
| SCHEMBL2025482 | 0.67 | MMP13 (0.32) | KDM4EALDH1A1USP2LMNAMMP9 | |
| SCHEMBL15686910 | 0.67 | POLB (0.36) | KDM4EALDH1A1USP2LMNAMMP9 | |
| SCHEMBL588982 | 0.66 | — | — | |
| SCHEMBL20349150 | 0.66 | KDM4E (0.30) | KDM4EALDH1A1USP2LMNAMMP9 | |
| SCHEMBL18131271 | 0.66 | CYP1A2 (0.33) | KDM4EALDH1A1USP2LMNAMMP9 | |
| SCHEMBL9952658 | 0.66 | SIRT6 (0.35) | KDM4EALDH1A1USP2LMNAMMP9 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2016162325-A1 | SUBSTITUTED 3,4-DIHYDROPYRROLO[1,2-A]PYRAZIN-1 (2H)-ONE DERIVATIVES AS KINASE INHIBITORS | ASTRAZENECA AB (SE) | 2016-10-13 | — | — | WO | disclosed |