Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 5/20 | 0.76 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.64 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.61 |
| ▸ | LMNA | P02545 | 3/20 | 0.58 |
| ▸ | HTT | P42858 | 2/20 | 0.58 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.58 |
| ▸ | TP53 | P04637 | 3/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.55 |
| ▸ | GAA | P10253 | 1/20 | 0.55 |
| ▸ | TSHR | P16473 | 1/20 | 0.55 |
| ▸ | RAB9A | P51151 | 1/20 | 0.55 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.55 |
| ▸ | POLB | P06746 | 2/20 | 0.55 |
| ▸ | NPC1 | O15118 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL10659604 | 0.86 | KMT2A (0.71) | KMT2AKDM4ESMN1; SMN2LMNAHTT | |
| SCHEMBL10661988 | 0.85 | KMT2A (0.70) | KMT2AKDM4ESMN1; SMN2LMNAHTT | |
| SCHEMBL22970639 | 0.80 | SMN1; SMN2 (0.71) | KMT2AKDM4ESMN1; SMN2LMNAHTT | |
| SCHEMBL11389038 | 0.80 | KMT2A (0.67) | KMT2AKDM4ESMN1; SMN2HTTNPC1 | |
| SCHEMBL10660441 | 0.79 | SMN1; SMN2 (0.72) | KMT2AKDM4ESMN1; SMN2LMNAHTT | |
| Veradoline SCHEMBL489286 | 0.76 | MAOA (0.53) | KMT2AKDM4ESMN1; SMN2LMNAMAPK1 | |
| Veradoline SCHEMBL29388371 | 0.76 | MAOA (0.53) | KMT2AKDM4ESMN1; SMN2LMNAMAPK1 | |
| Hydrochloric Acid SCHEMBL11291966 | 0.76 | KMT2A (0.57) | KMT2AKDM4ESMN1; SMN2LMNAHTT | |
| SCHEMBL10662225 | 0.75 | KMT2A (0.64) | KMT2AKDM4ESMN1; SMN2HTTALDH1A1 | |
| Veradoline SCHEMBL10656736 | 0.75 | MAOA (0.55) | KDM4ESMN1; SMN2LMNAMAPK1ALDH1A1 |
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-4766131-A | 2-amino (or hydroxy) phenethyl-1,2,3,4-tetrahydroisoquinolines as analgesics | PENNWALT CORPORATION (US) | 1988-08-23 | — | — | US | disclosed |
| EP-0051190-A2 | N-(amino(or hydroxy) phenethyl)-1,2,3,4-tetrahydroisoquinolines, precursors thereof, and methods of preparation | PENNWALT CORPORATION (US) | 1982-05-12 | — | — | EP | disclosed |