Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 5/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.39 |
| ▸ | NPC1 | O15118 | 12/20 | 0.39 |
| ▸ | RAB9A | P51151 | 12/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.37 |
| ▸ | GAA | P10253 | 2/20 | 0.37 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.37 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 2/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL14837159 | 0.80 | KMT2A (0.41) | KMT2ARAB9ASMN1; SMN2KDM4EALDH1A1 | |
| SCHEMBL918232 | 0.77 | PARP1 (0.35) | KMT2ASMN1; SMN2ALDH1A1HSD17B10L3MBTL1 | |
| SCHEMBL14836947 | 0.75 | PARP1 (0.39) | KMT2ASMN1; SMN2NPSR1 | |
| SCHEMBL14837487 | 0.74 | ACHE (0.40) | KMT2AKDM4EALDH1A1HPGDMEN1 | |
| SCHEMBL917909 | 0.74 | PARP1 (0.39) | USP2 | |
| SCHEMBL917709 | 0.72 | KDM4E (0.48) | LMNAKMT2ANPC1RAB9ASMN1; SMN2 | |
| SCHEMBL5608972 | 0.69 | NPC1 (0.73) | LMNAKMT2ANPC1RAB9ASMN1; SMN2 | |
| SCHEMBL917974 | 0.69 | CYP2A6 (0.39) | CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL14837200 | 0.68 | PARP1 (0.43) | LMNAKMT2ANPC1RAB9ASMN1; SMN2 | |
| SCHEMBL14837106 | 0.68 | KMT2A (0.43) | LMNAKMT2ASMN1; SMN2KDM4EALDH1A1 |
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-1758864-B1 | Substituted tetrahydro-2H-isoquinolin-1-one derivatives, method for their preparation, and their use as medicaments | SANOFI AVENTIS DEUTSCHLAND (DE) | 2013-04-10 | — | — | EP | disclosed |
| CN-1968929-B | Substituted tetrahydro-2h-isoquinolin-1-one derivatives, method for the production thereof, and use of the same as medicaments | SANOFI AVENTIS DEUTSCHLAND | 2010-09-08 | — | — | CN | disclosed |