Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.43 |
| ▸ | MAPT | P10636 | 3/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | AHR | P35869 | 3/20 | 0.41 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | CDC7 | O00311 | 1/20 | 0.36 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.36 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.36 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.36 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.36 |
| ▸ | PIM1 | P11309 | 1/20 | 0.36 |
| ▸ | GSK3A | P49840 | 1/20 | 0.36 |
| ▸ | GSK3B | P49841 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL7434291 | 0.86 | ALDH1A1 (0.57) | ALDH1A1KDM4EMAPTMEN1KMT2A | |
| SCHEMBL7427474 | 0.79 | SMN1; SMN2 (0.47) | ALDH1A1KDM4EMAPTMEN1KMT2A | |
| SCHEMBL7487566 | 0.78 | KDM4E (0.40) | ALDH1A1KDM4EMAPTMEN1KMT2A | |
| SCHEMBL7429024 | 0.76 | ADORA2A (0.39) | ALDH1A1KDM4EMAPTMEN1KMT2A | |
| SCHEMBL7543025 | 0.75 | ADORA2A (0.41) | ALDH1A1KDM4EMAPTMEN1KMT2A | |
| SCHEMBL7480280 | 0.75 | ADORA2A (0.59) | ALDH1A1KDM4EMAPTMEN1KMT2A | |
| SCHEMBL7438035 | 0.75 | ADORA2A (0.59) | ALDH1A1KDM4EMAPTMEN1KMT2A | |
| SCHEMBL7490670 | 0.74 | ADORA2A (0.62) | ADORA2A | |
| SCHEMBL7428889 | 0.72 | ADORA2A (0.44) | ALDH1A1KDM4EMAPTMEN1KMT2A | |
| SCHEMBL7427470 | 0.72 | ADORA2A (0.59) | ADORA2ACSNK1D |
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 |