Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.57 |
| ▸ | PPARG | P37231 | 3/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | BACE1 | P56817 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.43 |
| ▸ | TLR4 | O00206 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL11275701 | 0.87 | ALDH1A1 (0.49) | ALDH1A1PPARGKMT2ABACE1KDM4E | |
| SCHEMBL14746862 | 0.86 | ALDH1A1 (0.54) | ALDH1A1PPARGKMT2ABACE1KDM4E | |
| SCHEMBL11272884 | 0.85 | PPARG (0.67) | ALDH1A1PPARGKMT2AKDM4ETLR4 | |
| SCHEMBL14982070 | 0.79 | ALDH1A1 (0.51) | ALDH1A1PPARGKMT2AKDM4EAGTR1 | |
| SCHEMBL10735844 | 0.79 | LMNA (0.49) | ALDH1A1KMT2AKDM4ERAB9AGAA | |
| SCHEMBL27388643 | 0.79 | KMT2A (0.51) | ALDH1A1PPARGKMT2AKDM4EAGTR1 | |
| SCHEMBL10954896 | 0.79 | KDM4E (0.59) | ALDH1A1KMT2AKDM4EGAAMAPT | |
| SCHEMBL1532856 | 0.76 | KMT2A (0.58) | ALDH1A1KMT2AKDM4EAGTR1RAB9A | |
| SCHEMBL698881 | 0.76 | AGTR1 (0.60) | ALDH1A1PPARGKMT2AKDM4EAGTR1 | |
| SCHEMBL6274259 | 0.75 | ALDH1A1 (0.46) | ALDH1A1PPARGKMT2ABACE1KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| EP-0004024-B1 | METHOD FOR PREPARING 3-HYDROXY-6-PHENYL-1,2,3,4-TETRAHYDRO-1,5-BENZODIAZOCINES | Kali-Chemie Pharma GmbH (DE) | 1982-02-24 | — | — | EP | disclosed |
| EP-0004024-A2 | Method for preparing 3-hydroxy-6-phenyl-1,2,3,4-tetrahydro-1,5-benzodiazocines | Kali-Chemie Pharma GmbH (DE) | 1979-09-19 | — | — | EP | disclosed |