Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 2/20 | 0.50 |
| ▸ | NOS1 | P29475 | 2/20 | 0.50 |
| ▸ | NOS2 | P35228 | 2/20 | 0.50 |
| ▸ | ABCC8 | Q09428 | 1/20 | 0.42 |
| ▸ | KCNJ11 | Q14654 | 1/20 | 0.42 |
| ▸ | CHRNB4 | P30926 | 3/20 | 0.40 |
| ▸ | CHRNA3 | P32297 | 3/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.38 |
| ▸ | CRHBP | P24387 | 1/20 | 0.37 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.37 |
| ▸ | KDM1A | O60341 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL6643304 | 0.89 | NOS3 (0.50) | NOS3NOS1NOS2ABCC8KCNJ11 | |
| SCHEMBL6643026 | 0.84 | NOS3 (0.51) | NOS3NOS1NOS2ABCC8KCNJ11 | |
| SCHEMBL6640660 | 0.76 | MAPK1 (0.37) | NOS3NOS1NOS2MAPTLMNA | |
| SCHEMBL6642761 | 0.75 | NOS3 (0.44) | NOS3NOS1NOS2MAPTCHRM1 | |
| SCHEMBL6644155 | 0.74 | LMNA (0.43) | NOS3NOS1NOS2ABCC8KCNJ11 | |
| SCHEMBL6641968 | 0.73 | NOS3 (0.51) | NOS3NOS1NOS2ABCC8KCNJ11 | |
| SCHEMBL6641453 | 0.71 | NOS3 (0.48) | NOS3NOS1NOS2ABCC8KCNJ11 | |
| SCHEMBL6641777 | 0.71 | NOS3 (0.55) | NOS3NOS1NOS2CHRNB4CHRNA3 | |
| SCHEMBL6645884 | 0.67 | EGFR (0.42) | NOS3NOS1NOS2MAPTHSP90AA1 | |
| SCHEMBL6642348 | 0.67 | TDP2 (0.37) | — |
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-1054869-B1 | 3,4-DIHYDROQUINOLINE DERIVATIVES AS NITROGEN MONOXIDE SYNTHASE (NOS) INHIBITORS | SCHERING AG (DE) | 2004-09-22 | — | — | EP | disclosed |
| US-6391887-B1 | ANTIINFLAMMATORY AGENTS; AUTOIMMUNE DISEASE; CARDIOVASCULAR DISORDERS | SCHERING AKTIENGESELLSCHAFT (DE) | 2002-05-21 | — | — | US | disclosed |