Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 4/20 | 0.57 |
| ▸ | MEN1 | O00255 | 3/20 | 0.57 |
| ▸ | ATM | Q13315 | 1/20 | 0.57 |
| ▸ | DPP4 | P27487 | 4/20 | 0.47 |
| ▸ | ADORA2A | P29274 | 4/20 | 0.46 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.46 |
| ▸ | POLB | P06746 | 2/20 | 0.46 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.46 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.43 |
| ▸ | WHR1 | P49842 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | CYP1A1 | P04798 | 4/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.41 |
| ▸ | CYP1B1 | Q16678 | 4/20 | 0.41 |
| ▸ | MET | P08581 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | PDE5A | O76074 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL6039708 | 0.98 | MEN1 (0.55) | KMT2AMEN1ATMDPP4ADORA2A | |
| SCHEMBL11694120 | 0.81 | ADORA2A (0.44) | KMT2AMEN1ATMADORA2AADORA1 | |
| SCHEMBL6039088 | 0.81 | KDM4E (0.59) | KMT2AMEN1ATMADORA2AADORA1 | |
| SCHEMBL28329896 | 0.81 | MEN1 (0.50) | KMT2AMEN1ATMDPP4ADORA3 | |
| SCHEMBL5988414 | 0.81 | MEN1 (0.50) | KMT2AMEN1ATMDPP4WHR1 | |
| SCHEMBL18698079 | 0.79 | HPGD (0.51) | KMT2AMEN1ATMDPP4POLB | |
| SCHEMBL27689623 | 0.78 | ADORA2A (0.39) | KMT2AMEN1ATMADORA2AADORA1 | |
| SCHEMBL8897807 | 0.77 | KMT2A (0.50) | KMT2AMEN1ATMDPP4ADORA2A | |
| SCHEMBL7635103 | 0.76 | ADORA2A (0.56) | KMT2AMEN1ATMADORA2APOLB | |
| SCHEMBL24702583 | 0.76 | MEN1 (0.45) | KMT2AMEN1ATMADORA2AADORA1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1997020822-A1 | QUINAZOLIN-2,4-DIAZIRINES AS NPY RECEPTOR ANTAGONIST | NOVARTIS AG (CH) | 1997-06-12 | — | — | WO | claimed |