Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 1/20 | 0.42 |
| ▸ | NOS1 | P29475 | 1/20 | 0.42 |
| ▸ | NOS2 | P35228 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | ABCB1 | P08183 | 6/20 | 0.40 |
| ▸ | ABCG2 | Q9UNQ0 | 4/20 | 0.40 |
| ▸ | ABCC1 | P33527 | 6/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
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 SCHEMBL7850800 | 0.95 | ABCB1 (0.41) | NOS3NOS1NOS2SMN1; SMN2NPC1 | |
| SCHEMBL7848521 | 0.91 | HTR1A (0.44) | NOS3NOS1NOS2SMN1; SMN2NPC1 | |
| Hydrochloric Acid SCHEMBL7858339 | 0.90 | HTR1A (0.45) | NOS3NOS1NOS2SMN1; SMN2NPC1 | |
| Hydrochloric Acid SCHEMBL7840137 | 0.85 | HTR1A (0.48) | NOS3NOS1NOS2SMN1; SMN2NPC1 | |
| SCHEMBL7852559 | 0.83 | HRH3 (0.52) | NOS3NOS1NOS2SMN1; SMN2NPC1 | |
| SCHEMBL7849078 | 0.83 | TP53 (0.41) | NOS3NOS1NOS2SMN1; SMN2NPC1 | |
| Hydrochloric Acid SCHEMBL7849293 | 0.83 | DRD4 (0.48) | SMN1; SMN2NPC1RAB9ACYP1A2CYP3A4 | |
| Hydrochloric Acid SCHEMBL7839685 | 0.80 | BCHE (0.47) | NOS3NOS1NOS2SMN1; SMN2NPC1 | |
| Hydrochloric Acid SCHEMBL7852330 | 0.80 | ALDH1A1 (0.42) | SMN1; SMN2NPC1RAB9ACYP1A2CYP3A4 | |
| SCHEMBL7848545 | 0.79 | CHRNA7 (0.46) | NOS3NOS1NOS2SMN1; 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-0731801-B1 | SUBSTITUTED AMINOALKYLAMINOPYRIDINES | BYK GULDEN LOMBERG CHEM FAB (DE) | 2001-10-24 | — | — | EP | disclosed |
| US-5668131-A | CONTROLLING HELICOBACTER BACTERIA | BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) | 1997-09-16 | — | — | US | disclosed |