Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | LMNA | P02545 | 3/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 3/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | ERN1 | O75460 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | TRIM24 | O15164 | 1/20 | 0.39 |
| ▸ | TYR | P14679 | 1/20 | 0.39 |
| ▸ | TRIM33 | Q9UPN9 | 1/20 | 0.39 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL4770355 | 0.88 | ALDH1A1 (0.53) | ALDH1A1LMNACYP1A2CYP2C19CYP2C9 | |
| SCHEMBL6358019 | 0.83 | ERN1 (0.46) | ALDH1A1RAB9AKDM4EERN1TRIM24 | |
| SCHEMBL4765815 | 0.78 | ERN1 (0.49) | ALDH1A1LMNACYP1A2CYP2C19CYP2C9 | |
| SCHEMBL20488634 | 0.77 | KDM4E (0.59) | ALDH1A1LMNACYP1A2CYP2C19RAB9A | |
| SCHEMBL9881727 | 0.75 | ERN1 (0.51) | ALDH1A1LMNACYP1A2CYP2C19CYP2C9 | |
| SCHEMBL1748666 | 0.74 | ALDH1A1 (0.71) | ALDH1A1LMNACYP1A2CYP2C19CYP2C9 | |
| SCHEMBL18641647 | 0.74 | ERN1 (0.47) | ALDH1A1LMNACYP1A2CYP2C19CYP2C9 | |
| SCHEMBL648721 | 0.71 | ALDH1A1 (0.43) | ALDH1A1CYP1A2CYP2C19RAB9AKDM4E | |
| SCHEMBL22685386 | 0.70 | ERN1 (0.56) | ALDH1A1LMNACYP1A2CYP2C19CYP2C9 | |
| SCHEMBL584391 | 0.70 | ERN1 (0.56) | ALDH1A1CYP1A2CYP2C19RAB9AKDM4E |
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-6875761-B2 | Certain 1,3-disubstituted isoquinoline derivatives | EISAI CO., LTD. (JP) | 2005-04-05 | — | — | US | disclosed |