Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.49 |
| ▸ | MAPT | P10636 | 4/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | GLA | P06280 | 1/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.49 |
| ▸ | TNF | P01375 | 1/20 | 0.49 |
| ▸ | NOD2 | Q9HC29 | 1/20 | 0.49 |
| ▸ | NOD1 | Q9Y239 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 4/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | FAAH | O00519 | 1/20 | 0.46 |
| ▸ | MGLL | Q99685 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL19441409 | 0.87 | MAPT (0.47) | CYP1A2CYP2C19MAPTKDM4EGAA | |
| SCHEMBL19441412 | 0.86 | NPC1 (0.47) | CYP1A2CYP2C19MAPTKDM4EGLA | |
| SCHEMBL19441442 | 0.84 | CYP1A2 (0.64) | CYP1A2CYP2C19MAPTGAANPSR1 | |
| SCHEMBL17211855 | 0.84 | POLB (0.57) | CYP1A2CYP2C19MAPTKDM4ENPSR1 | |
| SCHEMBL15694787 | 0.78 | ALDH1A1 (0.56) | CYP1A2CYP2C19MAPTKDM4EGAA | |
| SCHEMBL22432091 | 0.76 | KDM4E (0.60) | MAPTKDM4EGLAGAANPSR1 | |
| SCHEMBL22407262 | 0.76 | KDM4E (0.60) | MAPTKDM4EGLAGAANPSR1 | |
| SCHEMBL4555171 | 0.75 | CYP1A2 (0.62) | CYP1A2CYP2C19MAPTGAANPSR1 | |
| SCHEMBL19441413 | 0.75 | MAPT (0.44) | CYP1A2CYP2C19MAPTKDM4EGAA | |
| SCHEMBL19449699 | 0.74 | CYP1A2 (0.57) | CYP1A2CYP2C19MAPTNPSR1LMNA |
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 |
|---|---|---|---|---|---|---|---|
| US-9783499-B2 | Quinoline derivatives and their applications | SHENYANG PHARMACEUTICAL UNIVERSITY (CN) | 2017-10-10 | — | — | US | disclosed |