Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | GBA1 | P04062 | 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 | |
|---|---|---|---|---|
| SCHEMBL6855483 | 1.00 | KDM4E (0.31) | KDM4ENPC1CYP1A2CYP2D6HPGD | |
| SCHEMBL6796408 | 0.74 | — | — | |
| SCHEMBL16640673 | 0.74 | MAPK1 (0.39) | KDM4ENPC1CYP1A2CYP2D6HPGD | |
| SCHEMBL12896205 | 0.72 | CYP2D6 (0.51) | KDM4ENPC1CYP1A2CYP2D6HPGD | |
| SCHEMBL8659950 | 0.68 | L3MBTL1 (0.32) | CYP2D6 | |
| SCHEMBL8660376 | 0.67 | RIPK1 (0.37) | — | |
| SCHEMBL8661016 | 0.67 | MAPT (0.41) | KDM4EGBA1 | |
| SCHEMBL8662712 | 0.65 | RIPK1 (0.38) | — | |
| SCHEMBL8661346 | 0.65 | RIPK1 (0.31) | CYP1A2CYP2C19 | |
| SCHEMBL8662095 | 0.65 | PIK3CD (0.40) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6750344-B1 | MONOCYCLIC AMINE SCAFFOLD BEARING AT LEAST TWO SITES OF DIVERSITY, CYCLIZED TO FORM BICYCLIC AMINE SCAFFOLDS; 7-AMINO-PYRROLO(1,2-A)PYRAZIN-4-ONE COMPOUNDS | ISIS PHARMACEUTICALS, INC. | 2004-06-15 | — | — | US | disclosed |
| US-6316626-B1 | Amine compounds and combinatorial libraries comprising same | ISIS PHARMACEUTICALS, INC. | 2001-11-13 | — | — | US | disclosed |
| WO-1999012034-A1 | AMINE COMPOUNDS AND COMBINATORIAL LIBRARIES COMPRISING SAME | ISIS PHARMACEUTICALS, INC. (US) | 1999-03-11 | — | — | WO | disclosed |