Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM5 | P41594 | 3/20 | 0.50 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.50 |
| ▸ | NPC1 | O15118 | 3/20 | 0.48 |
| ▸ | TP53 | P04637 | 2/20 | 0.48 |
| ▸ | RAB9A | P51151 | 2/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.48 |
| ▸ | GAA | P10253 | 2/20 | 0.48 |
| ▸ | PKM | P14618 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
| ▸ | ATM | Q13315 | 4/20 | 0.44 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.44 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.44 |
| ▸ | MTOR | P42345 | 1/20 | 0.44 |
| ▸ | PRKDC | P78527 | 1/20 | 0.44 |
| ▸ | DCTPP1 | Q9H773 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | KLK3 | P07288 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL7703002 | 0.89 | ADORA2A (0.47) | GRM5ADORA2ANPC1RAB9ASMN1; SMN2 | |
| SCHEMBL7709212 | 0.86 | ADORA2A (0.49) | ADORA2ANPC1TP53KDM4EGAA | |
| SCHEMBL7711376 | 0.85 | ADORA2A (0.53) | GRM5ADORA2ANPC1TP53RAB9A | |
| SCHEMBL7428533 | 0.83 | ADORA2A (0.60) | ADORA2ANPC1RAB9ASMN1; SMN2KDM4E | |
| SCHEMBL7431382 | 0.83 | NPC1 (0.52) | GRM5ADORA2ANPC1RAB9ASMN1; SMN2 | |
| SCHEMBL7708534 | 0.83 | ADORA2A (0.53) | GRM5ADORA2ANPC1RAB9AKDM4E | |
| SCHEMBL7708776 | 0.83 | ADORA2A (0.53) | GRM5ADORA2ANPC1TP53RAB9A | |
| SCHEMBL7483006 | 0.81 | NPC1 (0.53) | GRM5ADORA2ANPC1TP53RAB9A | |
| SCHEMBL7485182 | 0.81 | ADORA2A (0.49) | GRM5ADORA2ANPC1RAB9ASMN1; SMN2 | |
| SCHEMBL7708845 | 0.79 | ADORA2A (0.54) | GRM5ADORA2ANPC1TP53RAB9A |
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 |