Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 5/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.39 |
| ▸ | METAP2 | P50579 | 1/20 | 0.38 |
| ▸ | MAPK10 | P53779 | 2/20 | 0.38 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.38 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.38 |
| ▸ | PIK3CB | P42338 | 2/20 | 0.38 |
| ▸ | PIK3CG | P48736 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 4/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.38 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL8566727 | 0.98 | CYP2D6 (0.51) | CYP2D6RAB9ASMN1; SMN2KDM4EMEN1 | |
| SCHEMBL30273511 | 0.98 | CYP2D6 (0.51) | CYP2D6RAB9ASMN1; SMN2KDM4EMEN1 | |
| SCHEMBL9903935 | 0.87 | CYP2D6 (0.60) | CYP2D6LMNAHDAC4MAPTMAPK1 | |
| SCHEMBL31360692 | 0.81 | NOTUM (0.52) | CYP2D6HDAC4MAPTMAPK14MAPK9 | |
| SCHEMBL3157652 | 0.81 | NOTUM (0.52) | CYP2D6HDAC4MAPTMAPK14MAPK9 | |
| SCHEMBL8695286 | 0.81 | CYP2D6 (0.60) | CYP2D6RAB9ASMN1; SMN2KDM4EMEN1 | |
| SCHEMBL8499115 | 0.80 | CYP2D6 (0.53) | CYP2D6RAB9ALMNAMAPTMAPK10 | |
| SCHEMBL28135256 | 0.80 | MAPK14 (0.40) | CYP2D6RAB9ASMN1; SMN2KDM4EMEN1 | |
| SCHEMBL15651713 | 0.77 | CYP2D6 (0.51) | CYP2D6RAB9ASMN1; SMN2KDM4EMEN1 | |
| SCHEMBL675705 | 0.77 | CYP2D6 (0.51) | CYP2D6HDAC4MAPTMAPK1MAPK10 |
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-106397415-A | Pyridine-based five-membered-ring substituted compound and application thereof | 江苏三月光电科技有限公司 | 2017-02-15 | — | — | CN | disclosed |
| CN-105732588-A | Organic Compound, Light-Emitting Element, Display Module, Lighting Module, Light-Emitting Device, Display Device, Electronic Device, and Lighting Device | 株式会社半导体能源研究所 | 2016-07-06 | — | — | CN | disclosed |