Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 1/20 | 0.49 |
| ▸ | F2 | P00734 | 1/20 | 0.47 |
| ▸ | F12 | P00748 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 7/20 | 0.45 |
| ▸ | NPC1 | O15118 | 6/20 | 0.45 |
| ▸ | RAB9A | P51151 | 6/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | PKM | P14618 | 3/20 | 0.45 |
| ▸ | ATM | Q13315 | 3/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.45 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 4/20 | 0.42 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | GRM5 | P41594 | 1/20 | 0.40 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.39 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL7431382 | 0.89 | NPC1 (0.52) | ADORA2AF2F12SMN1; SMN2NPC1 | |
| SCHEMBL7428533 | 0.87 | ADORA2A (0.60) | ADORA2AF2F12SMN1; SMN2NPC1 | |
| SCHEMBL7483006 | 0.85 | NPC1 (0.53) | ADORA2AF2F12SMN1; SMN2NPC1 | |
| SCHEMBL7426124 | 0.84 | ADORA2A (0.51) | ADORA2AF2F12SMN1; SMN2NPC1 | |
| SCHEMBL7703002 | 0.84 | ADORA2A (0.47) | ADORA2AF2F12SMN1; SMN2NPC1 | |
| SCHEMBL7434316 | 0.84 | ADORA2A (0.48) | ADORA2AF2F12SMN1; SMN2NPC1 | |
| SCHEMBL7709217 | 0.81 | GRM5 (0.50) | ADORA2AF2F12SMN1; SMN2NPC1 | |
| SCHEMBL7709212 | 0.80 | ADORA2A (0.49) | ADORA2ANPC1ALDH1A1ATMKDM4E | |
| SCHEMBL7542178 | 0.80 | ADORA2A (0.52) | ADORA2ASMN1; SMN2NPC1RAB9AALDH1A1 | |
| SCHEMBL7708845 | 0.78 | ADORA2A (0.54) | ADORA2AF2F12SMN1; SMN2NPC1 |
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 2 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 |
| WO-2001017999-A2 | AMINO-TRIAZOLOPYRIDINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2001-03-15 | — | — | WO | disclosed |