Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.59 |
| ▸ | NPC1 | O15118 | 4/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.47 |
| ▸ | GPR3 | P46089 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | TGFBR1 | P36897 | 9/20 | 0.44 |
| ▸ | MAPK14 | Q16539 | 7/20 | 0.44 |
| ▸ | AAK1 | Q2M2I8 | 2/20 | 0.44 |
| ▸ | TGFBR2 | P37173 | 1/20 | 0.44 |
| ▸ | ABL2 | P42684 | 1/20 | 0.44 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.44 |
| ▸ | CSNK1D | P48730 | 1/20 | 0.44 |
| ▸ | MAP3K20 | Q9NYL2 | 1/20 | 0.44 |
| ▸ | NFATC1 | O95644 | 1/20 | 0.42 |
| ▸ | DYRK1A | Q13627 | 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 | |
|---|---|---|---|---|
| SCHEMBL13649228 | 0.88 | CYP1A2 (0.54) | CYP1A2NPC1KDM4EGPR3ALDH1A1 | |
| SCHEMBL18858293 | 0.85 | CYP1A2 (0.51) | CYP1A2NPC1RAB9ATGFBR1MAPK14 | |
| SCHEMBL17932588 | 0.85 | CYP1A2 (0.48) | CYP1A2NPC1KDM4EALDH1A1HPGD | |
| SCHEMBL17932587 | 0.83 | CYP1A2 (0.56) | CYP1A2NPC1KDM4EGPR3ALDH1A1 | |
| SCHEMBL731645 | 0.79 | NPC1 (0.62) | CYP1A2NPC1KDM4ERAB9A | |
| SCHEMBL9674487 | 0.76 | CYP1A2 (0.48) | CYP1A2NPC1KDM4EALDH1A1HPGD | |
| SCHEMBL5480864 | 0.76 | CYP1A2 (0.58) | CYP1A2NPC1KDM4EALDH1A1HPGD | |
| SCHEMBL28271036 | 0.76 | NPC1 (0.74) | CYP1A2NPC1KDM4ERAB9A | |
| SCHEMBL1227713 | 0.75 | CYP1A2 (0.60) | CYP1A2NPC1KDM4EALDH1A1HPGD | |
| SCHEMBL29699887 | 0.75 | CYP1A2 (0.60) | CYP1A2NPC1KDM4EALDH1A1HPGD |
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-3466932-A1 | PRODUCTION METHOD FOR BICYCLIC NITROGEN-CONTAINING HETEROCYCLIC COMPOUND | Kobelco Eco-Solutions Co., Ltd (JP) | 2019-04-10 | — | — | EP | disclosed |
| CN-109195953-A | The manufacturing method of two ring type nitrogen-containing heterocycle compounds | 株式会社神钢环境舒立净 | 2019-01-11 | — | — | CN | disclosed |