Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 1/20 | 0.48 |
| ▸ | NOS1 | P29475 | 1/20 | 0.48 |
| ▸ | NOS2 | P35228 | 1/20 | 0.48 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.45 |
| ▸ | PDE3B | Q13370 | 12/20 | 0.41 |
| ▸ | PDE3A | Q14432 | 12/20 | 0.41 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.41 |
| ▸ | INCENP | Q9NQS7 | 1/20 | 0.41 |
| ▸ | GABRP | O00591 | 1/20 | 0.40 |
| ▸ | GABRD | O14764 | 1/20 | 0.40 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.40 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.40 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.40 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.40 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.40 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.40 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.40 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.40 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.40 |
| ▸ | GABRE | P78334 | 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 | |
|---|---|---|---|---|
| SCHEMBL11008096 | 0.82 | NOS3 (0.50) | NOS3NOS1NOS2GABRPGABRD | |
| SCHEMBL4581787 | 0.82 | NOS3 (0.50) | NOS3NOS1NOS2GABRPGABRD | |
| SCHEMBL1256198 | 0.82 | NOS3 (0.50) | NOS3NOS1NOS2GABRPGABRD | |
| SCHEMBL7281511 | 0.80 | PDE3B (0.41) | ADORA2BPDE3BPDE3AMAPTLMNA | |
| SCHEMBL11067698 | 0.79 | ADORA2B (0.42) | ADORA2BPDE3BPDE3AAURKBINCENP | |
| SCHEMBL15984750 | 0.79 | NPC1 (0.44) | PDE3BPDE3AMAPTLMNANPC1 | |
| SCHEMBL21223615 | 0.79 | ADORA2B (0.47) | ADORA2BPDE3BPDE3AAURKBINCENP | |
| SCHEMBL4581784 | 0.78 | NOS3 (0.47) | NOS3NOS1NOS2GABRPGABRD | |
| SCHEMBL4497002 | 0.78 | BACE1 (0.47) | NOS3NOS1NOS2GABRPGABRD | |
| SCHEMBL4499287 | 0.78 | NOS3 (0.47) | NOS3NOS1NOS2ADORA2BGABRP |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4420617-A | 5(Pyridinyl)pyridin-2-amines | STERLING DRUG INC. (US) | 1983-12-13 | — | — | US | claimed |
| EP-2763976-B1 | 2-PYRIDYL CARBOXAMIDE-CONTAINING SPLEEN TYROSINE KINASE (SYK) INHIBITORS | MERCK SHARP & DOHME (US) | 2016-05-18 | — | — | EP | disclosed |
| US-4448780-A | N-(Lower-alkyl)-N'-[5-(pyridinyl)-2-pyridinyl]ureas and cardiotonic use thereof | STERLING DRUG INC. (US) | 1984-05-15 | — | — | US | disclosed |
| US-4420617-A | 5(Pyridinyl)pyridin-2-amines | STERLING DRUG INC. (US) | 1983-12-13 | — | — | US | disclosed |