Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.46 |
| ▸ | F12 | P00748 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.45 |
| ▸ | NPC1 | O15118 | 2/20 | 0.45 |
| ▸ | HPGD | P15428 | 2/20 | 0.45 |
| ▸ | RAB9A | P51151 | 2/20 | 0.45 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.45 |
| ▸ | RELA | Q04206 | 1/20 | 0.45 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.44 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.44 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.44 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.44 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.44 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.43 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7423524 | 0.87 | ALDH1A1 (0.53) | ADORA3SMN1; SMN2ALDH1A1NPC1HPGD | |
| SCHEMBL7428379 | 0.86 | ADORA2A (0.53) | F12SMN1; SMN2ALDH1A1NPC1HPGD | |
| SCHEMBL7427474 | 0.86 | SMN1; SMN2 (0.47) | ADORA3SMN1; SMN2ALDH1A1NPC1HPGD | |
| SCHEMBL7430129 | 0.84 | CYP2A6 (0.51) | ADORA3F12SMN1; SMN2ALDH1A1NPC1 | |
| SCHEMBL7426090 | 0.83 | ADORA2A (0.56) | ADORA2AMAPTF2HSD17B10 | |
| SCHEMBL7709122 | 0.81 | MAOA (0.47) | ADORA3SMN1; SMN2ALDH1A1NPC1HPGD | |
| SCHEMBL7480172 | 0.79 | RAB9A (0.46) | SMN1; SMN2ALDH1A1NPC1HPGDRAB9A | |
| SCHEMBL7703064 | 0.78 | ALDH1A1 (0.45) | ADORA3SMN1; SMN2ALDH1A1NPC1HPGD | |
| SCHEMBL7542178 | 0.78 | ADORA2A (0.52) | ADORA3SMN1; SMN2ALDH1A1NPC1HPGD | |
| SCHEMBL7151749 | 0.77 | ALDH1A1 (0.49) | ADORA3F12SMN1; SMN2ALDH1A1HPGD |
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-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 |