Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNA7 | P36544 | 2/20 | 0.46 |
| ▸ | GRIN2A | Q12879 | 2/20 | 0.43 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.43 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.42 |
| ▸ | BCHE | P06276 | 1/20 | 0.42 |
| ▸ | ACHE | P22303 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 3/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.40 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.40 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.40 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.39 |
| ▸ | DRD4 | P21917 | 1/20 | 0.37 |
| ▸ | NOS3 | P29474 | 1/20 | 0.37 |
| ▸ | NOS1 | P29475 | 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 | |
|---|---|---|---|---|
| SCHEMBL7849920 | 0.89 | GRIN2B (0.59) | GRIN2AGRIN2BGRIN2CBCHEACHE | |
| SCHEMBL7852559 | 0.88 | HRH3 (0.52) | GRIN2AGRIN2BRAB9ACYP1A2CYP2D6 | |
| Hydrochloric Acid SCHEMBL7839685 | 0.87 | BCHE (0.47) | GRIN2AGRIN2BGRIN2CBCHEACHE | |
| Hydrochloric Acid SCHEMBL7852330 | 0.86 | ALDH1A1 (0.42) | GRIN2AGRIN2BRAB9ACYP1A2CYP2D6 | |
| Hydrochloric Acid SCHEMBL7848636 | 0.84 | GRIN2B (0.59) | GRIN2AGRIN2BGRIN2CBCHEACHE | |
| SCHEMBL7848521 | 0.83 | HTR1A (0.44) | BCHEACHERAB9ACYP1A2CYP2D6 | |
| Hydrochloric Acid SCHEMBL7858339 | 0.82 | HTR1A (0.45) | BCHEACHERAB9ACYP1A2CYP2D6 | |
| Hydrochloric Acid SCHEMBL7849293 | 0.81 | DRD4 (0.48) | RAB9ACYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL7850659 | 0.81 | CYP1A2 (0.50) | BCHERAB9ACYP1A2CYP2D6CYP2C9 | |
| SCHEMBL7848644 | 0.80 | CYP1A2 (0.49) | BCHERAB9ACYP1A2CYP2D6CYP2C9 |
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 |