Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.40 |
| ▸ | DRD2 | P14416 | 1/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | HTR2A | P28223 | 1/20 | 0.37 |
| ▸ | HRH1 | P35367 | 1/20 | 0.37 |
| ▸ | SCN1A | P35498 | 1/20 | 0.37 |
| ▸ | SCN4A | P35499 | 1/20 | 0.37 |
| ▸ | BLM | P54132 | 1/20 | 0.37 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.37 |
| ▸ | CACNA1D | Q01668 | 1/20 | 0.37 |
| ▸ | CACNA1S | Q13698 | 1/20 | 0.37 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.37 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.37 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.37 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.37 |
| ▸ | SLC6A9 | P48067 | 6/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL12880750 | 0.79 | TDP1 (0.44) | KCNH2ALDH1A1CACNA1FMAPTCYP2C9 | |
| SCHEMBL12880751 | 0.79 | TDP1 (0.44) | KCNH2ALDH1A1CACNA1FMAPTCYP2C9 | |
| SCHEMBL2879213 | 0.78 | SLC6A9 (0.38) | SIGMAR1DRD2KCNH2SLC6A9OPRM1 | |
| Hydrochloric Acid SCHEMBL9037991 | 0.77 | SIGMAR1 (0.39) | SIGMAR1DRD2KCNH2SLC6A9OPRM1 | |
| SCHEMBL8192173 | 0.75 | SIGMAR1 (0.37) | SIGMAR1DRD2KCNH2MAPTSLC6A9 | |
| SCHEMBL23534332 | 0.71 | TDP1 (0.39) | TDP1 | |
| SCHEMBL24707358 | 0.71 | TDP1 (0.39) | TDP1 | |
| SCHEMBL15568523 | 0.71 | TAAR1 (0.41) | SIGMAR1DRD2ALDH1A1MAPTCYP2C9 | |
| SCHEMBL17135722 | 0.71 | OPRM1 (0.44) | SIGMAR1DRD2ALDH1A1MAPTCYP2C9 | |
| Hydrochloric Acid SCHEMBL23534754 | 0.70 | TDP1 (0.38) | TDP1 |
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-0696280-A1 | SUBSTITUTED PYRROLIDIN-3-YL-ALKYL-PIPERIDINES USEFUL AS TACHYKININ ANTAGONISTS | MERRELL DOW PHARMA (US) | 1996-02-14 | — | — | EP | disclosed |
| WO-1994026735-A1 | SUBSTITUTED PYRROLIDIN-3-YL-ALKYL-PIPERIDINES USEFUL AS TACHYKININ ANTAGONISTS | MERRELL DOW PHARMACEUTICALS INC. (US) | 1994-11-24 | — | — | WO | disclosed |