Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 3/20 | 0.46 |
| ▸ | NOS1 | P29475 | 3/20 | 0.46 |
| ▸ | NOS2 | P35228 | 3/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | PKM | P14618 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | MPO | P05164 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | BLM | P54132 | 1/20 | 0.43 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.43 |
| ▸ | ALPI | P09923 | 1/20 | 0.43 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.43 |
| ▸ | XIAP | P98170 | 1/20 | 0.43 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.43 |
| ▸ | PTGER1 | P34995 | 1/20 | 0.42 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL7418862 | 0.83 | NOS3 (0.50) | NOS3NOS1NOS2KDM4EKMT2A | |
| SCHEMBL22190028 | 0.83 | NOS3 (0.50) | NOS3NOS1NOS2KDM4EKMT2A | |
| SCHEMBL3731427 | 0.79 | PTGER1 (0.51) | KDM4EKMT2AMEN1LMNAMAPT | |
| SCHEMBL13957565 | 0.77 | NOS3 (0.52) | NOS3NOS1NOS2KDM4EKMT2A | |
| SCHEMBL22190058 | 0.77 | NOS3 (0.48) | NOS3NOS1NOS2KDM4EKMT2A | |
| SCHEMBL22190061 | 0.77 | NOS3 (0.48) | NOS3NOS1NOS2KDM4EKMT2A | |
| SCHEMBL7386862 | 0.76 | NOS3 (0.46) | NOS3NOS1NOS2KDM4EKMT2A | |
| SCHEMBL31734855 | 0.76 | HPGD (0.53) | NOS3NOS1NOS2KDM4EKMT2A | |
| SCHEMBL20514014 | 0.75 | HRH1 (0.56) | NOS3NOS1NOS2KDM4ELMNA | |
| SCHEMBL18342619 | 0.75 | HRH1 (0.56) | NOS3NOS1NOS2KDM4ELMNA |
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 |
|---|---|---|---|---|---|---|---|
| US-6420418-B1 | INHIBITION AND PREVENTION OF LEUKOCYTE ADHESION; USED TO TREAT ADHESION-MEDIATED DISEASES SUCH AS ASTHMA, ALLERGIC RHINITIS, MULTIPLE SCLEROSIS; ATHEROSCLEROSIS, AND INFLAMMATORY BOWEL DISEASE | MERCK & CO., INC. | 2002-07-16 | — | — | US | disclosed |