Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.33 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | IMPDH2 | P12268 | 3/20 | 0.32 |
| ▸ | IMPDH1 | P20839 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.31 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.31 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.31 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.31 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.31 |
| ▸ | HDAC9 | Q9UKV0 | 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 | |
|---|---|---|---|---|
| SCHEMBL7744753 | 0.67 | NPC1 (0.60) | NPC1RAB9AKDM4EALDH1A1LMNA | |
| SCHEMBL31078239 | 0.64 | — | — | |
| SCHEMBL27458469 | 0.64 | — | — | |
| Hydrochloric Acid SCHEMBL1427897 | 0.63 | — | — | |
| Hydrochloric Acid SCHEMBL31078195 | 0.63 | — | — | |
| Ammonia Solution, Strong SCHEMBL28215040 | 0.63 | — | — | |
| Benzene SCHEMBL28325923 | 0.61 | CHRNA4 (0.46) | NPC1RAB9AKDM4EALDH1A1LMNA | |
| Hydrochloric Acid SCHEMBL30596464 | 0.61 | — | — | |
| SCHEMBL7746578 | 0.61 | LMNA (0.48) | NPC1RAB9AALDH1A1LMNAMEN1 | |
| SCHEMBL3824853 | 0.60 | CHRNA4 (0.38) | NPC1RAB9AKDM4EALDH1A1LMNA |
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-109689664-A | The quinoline and azepine quinoline compound that tricyclic heteroaryl as PAR4 inhibitor replaces | 百时美施贵宝公司 | 2019-04-26 | — | — | CN | claimed |
| CN-109689664-A | The quinoline and azepine quinoline compound that tricyclic heteroaryl as PAR4 inhibitor replaces | 百时美施贵宝公司 | 2019-04-26 | — | — | CN | disclosed |