Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 8/20 | 0.52 |
| ▸ | CSNK1D | P48730 | 1/20 | 0.42 |
| ▸ | PDE4A | P27815 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.40 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.40 |
| ▸ | BRD4 | O60885 | 1/20 | 0.40 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | PPARG | P37231 | 1/20 | 0.38 |
| ▸ | NCOA2 | Q15596 | 1/20 | 0.38 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.38 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7709161 | 0.87 | ADORA2A (0.53) | ADORA2ASMN1; SMN2KDM4ENPC1ALDH1A1 | |
| SCHEMBL7711750 | 0.84 | ADORA2A (0.57) | ADORA2ASMN1; SMN2KDM4ENPC1ALDH1A1 | |
| SCHEMBL7487041 | 0.84 | ADORA2A (0.51) | ADORA2ASMN1; SMN2KDM4ENPC1ALDH1A1 | |
| SCHEMBL7708420 | 0.84 | ADORA2A (0.51) | ADORA2AKDM4EALDH1A1ADORA3 | |
| SCHEMBL7478262 | 0.83 | ADORA2A (0.56) | ADORA2ASMN1; SMN2 | |
| SCHEMBL7709121 | 0.83 | CSNK1D (0.42) | ADORA2ACSNK1DSMN1; SMN2KDM4ENPC1 | |
| SCHEMBL7708869 | 0.82 | ADORA2A (0.49) | ADORA2ASMN1; SMN2KDM4ENPC1ALDH1A1 | |
| SCHEMBL7491175 | 0.82 | ADORA2A (0.55) | ADORA2AKDM4ENPC1ALDH1A1RAB9A | |
| SCHEMBL7711685 | 0.82 | ADORA2A (0.57) | ADORA2ASMN1; SMN2KDM4ENPC1ALDH1A1 | |
| SCHEMBL7709133 | 0.81 | ADORA2A (0.54) | ADORA2ASMN1; SMN2KDM4ENPC1ALDH1A1 |
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 4 patents. 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 | claimed |
| EP-1214322-A2 | AMINO-TRIAZOLOPYRIDINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2002-06-19 | — | — | EP | disclosed |
| US-6355653-B1 | DRUG AND CARRIER FOR ANTIALLERGENS, BRAIN DISORDERS AND NEUROTRANSMITTERS | HOFFMANN-LA ROCHE INC. | 2002-03-12 | — | — | US | disclosed |
| WO-2001017999-A2 | AMINO-TRIAZOLOPYRIDINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2001-03-15 | — | — | WO | disclosed |