Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.38 |
| ▸ | GAA | P10253 | 3/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | NR1I3 | Q14994 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 2/20 | 0.31 |
| ▸ | MAPT | P10636 | 2/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | PARP14 | Q460N5 | 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 | |
|---|---|---|---|---|
| SCHEMBL7734178 | 0.79 | NTRK1 (0.35) | ALDH1A1GAAKMT2ACYP1A2KDM4E | |
| SCHEMBL7739635 | 0.76 | ALDH1A1 (0.37) | ALDH1A1GAAKMT2ACYP1A2NR1I3 | |
| SCHEMBL12071196 | 0.66 | CYP17A1 (0.51) | ALDH1A1GAAKMT2ACYP3A4CYP2D6 | |
| SCHEMBL27494826 | 0.66 | ALDH1A1 (0.41) | ALDH1A1GAAKMT2ACYP3A4CYP2D6 | |
| SCHEMBL6676211 | 0.65 | ALDH1A1 (0.58) | ALDH1A1GAAKMT2ACYP1A2KDM4E | |
| SCHEMBL7740420 | 0.65 | SYK (0.37) | ALDH1A1GAAKMT2AKDM4EKCNH2 | |
| SCHEMBL7740422 | 0.64 | SYK (0.40) | ALDH1A1GAAKMT2AMAPTRAB9A | |
| SCHEMBL27477483 | 0.64 | KIF11 (0.42) | ALDH1A1GAAKMT2ACYP3A4CYP2D6 | |
| SCHEMBL6675178 | 0.63 | KDM4E (0.44) | ALDH1A1GAAKMT2ANR1I3KDM4E | |
| SCHEMBL6675941 | 0.62 | KDM4E (0.43) | ALDH1A1GAAKMT2ACYP1A2NR1I3 |
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 |
|---|---|---|---|---|---|---|---|
| US-6414005-B1 | BRAIN DISORDERS; ALZHEIMER'S DISEASE; PARKINSON'S DISEASE | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 2002-07-02 | — | — | US | disclosed |
| EP-1043312-A1 | HETEROCYCLIC COMPOUNDS HAVING NOS INHIBITORY ACTIVITIES | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 2000-10-11 | — | — | EP | disclosed |