Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 1/20 | 0.55 |
| ▸ | DYRK1A | Q13627 | 9/20 | 0.53 |
| ▸ | CDK9 | P50750 | 2/20 | 0.53 |
| ▸ | NPC1 | O15118 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 1/20 | 0.50 |
| ▸ | AHR | P35869 | 1/20 | 0.50 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.48 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | LTA4H | P09960 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | ALPL | P05186 | 1/20 | 0.44 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.44 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.44 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.44 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL19380933 | 0.81 | BACE1 (0.44) | BACE1DYRK1ACDK9NPC1RAB9A | |
| SCHEMBL19356908 | 0.80 | MCL1 (0.60) | BACE1NOTUM | |
| SCHEMBL28865740 | 0.79 | NPC1 (0.65) | BACE1NPC1RAB9AMKNK1MKNK2 | |
| SCHEMBL13551944 | 0.79 | DYRK1A (0.48) | DYRK1ACDK9MEN1KMT2A | |
| SCHEMBL7427550 | 0.77 | AHR (0.61) | DYRK1ACDK9NPC1RAB9AAHR | |
| SCHEMBL7708389 | 0.77 | DYRK1A (0.50) | DYRK1ACDK9ADORA2AADORA1 | |
| SCHEMBL7705913 | 0.76 | DYRK1A (0.46) | BACE1DYRK1ACDK9NPC1RAB9A | |
| SCHEMBL7708521 | 0.76 | MEN1 (0.67) | DYRK1ACDK9NPC1RAB9AKDM4E | |
| SCHEMBL19356913 | 0.76 | CTRC (0.40) | BACE1NPC1RAB9AKDM4ENOTUM | |
| SCHEMBL9160072 | 0.76 | AHR (0.68) | BACE1AHRKDM4ENOTUMCYP1A2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6355653-B1 | DRUG AND CARRIER FOR ANTIALLERGENS, BRAIN DISORDERS AND NEUROTRANSMITTERS | HOFFMANN-LA ROCHE INC. | 2002-03-12 | — | — | US | disclosed |