Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.61 |
| ▸ | KCNJ1 | P48048 | 1/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 5/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CA7 | P43166 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.42 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL20819296 | 0.88 | HTT (0.51) | NPC1MAPTKMT2AHTTSMN1; SMN2 | |
| SCHEMBL20377195 | 0.84 | CA12 (0.53) | NPC1KDM4EKMT2ACA12CA1 | |
| SCHEMBL7598043 | 0.83 | NPC1 (0.68) | NPC1KCNJ1KCNH2MAPTRAB9A | |
| SCHEMBL1114367 | 0.83 | NPC1 (0.79) | NPC1KCNJ1KCNH2MAPTRAB9A | |
| SCHEMBL8076355 | 0.83 | NPC1 (0.79) | NPC1KCNJ1KCNH2MAPTRAB9A | |
| SCHEMBL7075492 | 0.82 | ALDH1A1 (0.47) | NPC1MAPTRAB9AKMT2ASMN1; SMN2 | |
| SCHEMBL20393773 | 0.82 | CA12 (0.50) | NPC1KDM4EKMT2ACA12CA1 | |
| SCHEMBL20819305 | 0.80 | TP53 (0.46) | MAPTKDM4EKMT2AALOX5SMN1; SMN2 | |
| SCHEMBL20819298 | 0.79 | CYP3A4 (0.62) | NPC1MAPTRAB9AKMT2ASMN1; SMN2 | |
| SCHEMBL6618379 | 0.79 | CA12 (0.47) | NPC1RAB9AKDM4EKMT2ACA12 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1013636-B1 | Preparation of allylic aromatic compounds | AMERSHAM HEALTH AS (NO) | 2003-07-09 | — | — | EP | disclosed |
| US-6284894-B1 | AROMATIC AMINE IS REACTED FIRST WITH A NITRITE AND THEN WITH AN ALLYLIC OLEFIN HAVING AN ELIMINATABLE TERMINAL SUBSTITUENT. | NYCOMED IMAGING AS (NO) | 2001-09-04 | — | — | US | disclosed |
| EP-1013636-A1 | Preparation of allylic aromatic compounds | NYCOMED IMAGING AS (NO) | 2000-06-28 | — | — | EP | disclosed |