Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | SCN5A | Q14524 | 2/20 | 0.43 |
| ▸ | CACNA1B | Q00975 | 2/20 | 0.43 |
| ▸ | CACNA1H | O95180 | 1/20 | 0.43 |
| ▸ | ACHE | P22303 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | THRB | P10828 | 1/20 | 0.40 |
| ▸ | HTR3A | P46098 | 1/20 | 0.39 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.37 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
| ▸ | HTR4 | Q13639 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL9527652 | 0.99 | ALDH1A1 (0.47) | ALDH1A1SCN5ACACNA1BCACNA1HACHE | |
| SCHEMBL9696838 | 0.82 | MCHR1 (0.46) | ALDH1A1SCN5ACACNA1BCACNA1HACHE | |
| Hydrochloric Acid SCHEMBL9529287 | 0.81 | MCHR1 (0.45) | ALDH1A1SCN5ACACNA1BCACNA1HACHE | |
| Hydrochloric Acid SCHEMBL9532400 | 0.80 | MCHR1 (0.42) | SIGMAR1SMN1; SMN2KCNH2 | |
| SCHEMBL9528006 | 0.76 | HRH3 (0.55) | ALDH1A1CACNA1BCACNA1HACHEKDM4E | |
| Hydrochloric Acid SCHEMBL9376586 | 0.73 | KMT2A (0.52) | ALDH1A1THRBHRH3SMN1; SMN2 | |
| SCHEMBL25668355 | 0.70 | CARM1 (0.41) | ALDH1A1KDM4EHRH3 | |
| SCHEMBL19185639 | 0.67 | HRH3 (0.39) | ALDH1A1KDM4EHRH3 | |
| SCHEMBL1844995 | 0.66 | NPC1 (0.50) | CACNA1BCACNA1HHRH3SIGMAR1SMN1; SMN2 | |
| SCHEMBL11487151 | 0.66 | ACHE (0.54) | SCN5AACHE |
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 |
|---|---|---|---|---|---|---|---|
| WO-1992002501-A1 | 3-SUBSTITUTED PIPERIDINE DERIVATIVES | SMITHKLINE & FRENCH LABORATORIES LIMITED (GB) | 1992-02-20 | — | — | WO | disclosed |