Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 1/20 | 0.59 |
| ▸ | MAP4K4 | O95819 | 3/20 | 0.51 |
| ▸ | DHFR | P00374 | 1/20 | 0.50 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.50 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.49 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.49 |
| ▸ | JAK2 | O60674 | 1/20 | 0.49 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.49 |
| ▸ | CDK9 | P50750 | 1/20 | 0.49 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.49 |
| ▸ | IKBKB | O14920 | 1/20 | 0.47 |
| ▸ | TDO2 | P48775 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.47 |
| ▸ | RELA | Q04206 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL10344628 | 0.82 | BACE1 (0.53) | BACE1MAP4K4DHFRADORA2AADORA1 | |
| SCHEMBL817554 | 0.79 | ALOX5 (0.65) | BACE1TAAR1JAK2NPC1TP53 | |
| SCHEMBL31222672 | 0.79 | ALOX5 (0.65) | BACE1TAAR1JAK2NPC1TP53 | |
| SCHEMBL7703197 | 0.78 | MAOA (0.60) | MAP4K4CDK9DYRK1ANPC1TSHR | |
| SCHEMBL4453361 | 0.77 | ALOX5 (0.58) | BACE1TAAR1NPC1TP53TSHR | |
| SCHEMBL29629014 | 0.77 | ALOX5 (0.62) | BACE1TAAR1JAK2NPC1TP53 | |
| Hydrochloric Acid SCHEMBL31070804 | 0.77 | ALOX5 (0.62) | BACE1TAAR1NPC1TP53TSHR | |
| Hydrochloric Acid SCHEMBL28332867 | 0.77 | ALOX5 (0.62) | BACE1TAAR1NPC1TP53TSHR | |
| SCHEMBL3925093 | 0.76 | ASIC3 (0.62) | BACE1MAP4K4DHFRADORA2AADORA1 | |
| SCHEMBL632125 | 0.76 | ALDH1A1 (0.73) | BACE1MAP4K4TAAR1JAK2TDO2 |
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 |