Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | RAB9A | P51151 | 2/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.52 |
| ▸ | MEN1 | O00255 | 1/20 | 0.52 |
| ▸ | LMNA | P02545 | 1/20 | 0.52 |
| ▸ | TP53 | P04637 | 1/20 | 0.52 |
| ▸ | HPGD | P15428 | 1/20 | 0.52 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.52 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.52 |
| ▸ | RELA | Q04206 | 1/20 | 0.52 |
| ▸ | ADORA2A | P29274 | 15/20 | 0.51 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL7708420 | 0.88 | ADORA2A (0.51) | ALDH1A1ADORA2AKDM4E | |
| SCHEMBL7708427 | 0.86 | ADORA2A (0.53) | NPC1RAB9AADORA2A | |
| SCHEMBL7708829 | 0.83 | ADORA2A (0.70) | NPC1RAB9ASMN1; SMN2TP53ADORA2A | |
| SCHEMBL7702974 | 0.82 | ADORA2A (0.49) | NPC1ALDH1A1RAB9ASMN1; SMN2ADORA2A | |
| SCHEMBL7703022 | 0.81 | NPC1 (0.56) | NPC1ALDH1A1RAB9ASMN1; SMN2MEN1 | |
| SCHEMBL7708987 | 0.80 | ADORA2A (0.48) | NPC1ALDH1A1RAB9ASMN1; SMN2ADORA2A | |
| SCHEMBL7705869 | 0.78 | ADORA2A (0.56) | NPC1ALDH1A1RAB9ASMN1; SMN2MEN1 | |
| SCHEMBL7711821 | 0.78 | ADORA2A (0.54) | ALDH1A1SMN1; SMN2MEN1KMT2AADORA2A | |
| SCHEMBL7709217 | 0.78 | GRM5 (0.50) | NPC1ALDH1A1RAB9ASMN1; SMN2TP53 | |
| SCHEMBL7703126 | 0.78 | ADORA2A (0.53) | NPC1ALDH1A1RAB9ASMN1; SMN2HPGD |
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 |