Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | ACE | P12821 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.40 |
| ▸ | BACE1 | P56817 | 1/20 | 0.40 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7223266 | 1.00 | TSHR (0.45) | TSHRMEN1KMT2AKDM4EHSD17B10 | |
| SCHEMBL7225047 | 0.88 | ACE (0.47) | TSHRMEN1KMT2AACESMN1; SMN2 | |
| SCHEMBL7225043 | 0.88 | ACE (0.47) | TSHRMEN1KMT2AACESMN1; SMN2 | |
| SCHEMBL8235210 | 0.81 | KMT2A (0.53) | TSHRMEN1KMT2AMAPK1L3MBTL1 | |
| SCHEMBL7677497 | 0.81 | KMT2A (0.53) | TSHRMEN1KMT2AMAPK1L3MBTL1 | |
| SCHEMBL27627519 | 0.81 | KMT2A (0.53) | TSHRMEN1KMT2AMAPK1L3MBTL1 | |
| SCHEMBL243337 | 0.81 | AGTR2 (0.50) | SMN1; SMN2HDAC8 | |
| Hydrochloric Acid SCHEMBL10755389 | 0.80 | MEN1 (0.55) | TSHRMEN1KMT2AKDM4EHSD17B10 | |
| SCHEMBL7221112 | 0.80 | ACHE (0.42) | TSHRMEN1KMT2AKDM4EHSD17B10 | |
| SCHEMBL7221115 | 0.80 | ACHE (0.42) | TSHRMEN1KMT2AKDM4EHSD17B10 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2003101967-A1 | PREPARATION OF CHIRAL 1,2,3,4-TETRAHYDRO-6,7-DIALKOXY-3-ISOQUINOLINECARBOXYLIC ACID AND DERIVATIVES BY REACTING LEVODOPA WITH FORMALDEHYDE OR FORMALDEHYDE PRECURSORS | APTEX PHARMACHEM INC. (CA) | 2003-12-11 | — | — | WO | claimed |
| US-6642384-B1 | Forming intermediate to moexipril; cyclizing levodopa with formaldehyde; protecting amine, alkylating phenols, esterifying carboxylic acid and optionally deprotecting | BRANTFORD CHEMICALS INC. (CA) | 2003-11-04 | — | — | US | claimed |