Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | HRH2 | P25021 | 1/20 | 0.38 |
| ▸ | HRH1 | P35367 | 1/20 | 0.38 |
| ▸ | BCHE | P06276 | 3/20 | 0.37 |
| ▸ | ACHE | P22303 | 3/20 | 0.37 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL5113170 | 1.00 | MAPK1 (0.40) | MAPK1KMT2AALDH1A1MEN1HRH2 | |
| SCHEMBL5117632 | 0.90 | CACNA1B (0.40) | MAPK1KMT2AALDH1A1MEN1CACNA1B | |
| SCHEMBL5344716 | 0.90 | ALDH1A1 (0.41) | MAPK1KMT2AALDH1A1MEN1CACNA1B | |
| SCHEMBL7043953 | 0.89 | MAPK1 (0.41) | MAPK1KMT2AALDH1A1MEN1CACNA1B | |
| SCHEMBL5124716 | 0.89 | MAPK1 (0.37) | MAPK1KMT2AALDH1A1MEN1CACNA1B | |
| Hydrochloric Acid SCHEMBL5123628 | 0.88 | MAPK1 (0.41) | MAPK1KMT2AALDH1A1MEN1CACNA1B | |
| SCHEMBL5117826 | 0.86 | ALDH1A1 (0.54) | KMT2AALDH1A1MEN1KDM4ENPSR1 | |
| SCHEMBL5117954 | 0.84 | ALDH1A1 (0.39) | MAPK1KMT2AALDH1A1MEN1CACNA1B | |
| SCHEMBL5124680 | 0.84 | HRH2 (0.49) | MAPK1KMT2AALDH1A1HRH2HRH1 | |
| SCHEMBL5112731 | 0.84 | MAPT (0.43) | KMT2AALDH1A1MEN1CACNA1BKDM4E |
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 |
|---|---|---|---|---|---|---|---|
| US-6605608-B1 | Such as n-(1-benzylpiperidin-4-yl)-3-cyclohexylmethylthio-2-((4R)-3-t -butoxycarbonylthiazolidin-4-ylcarbonylamino)propan-a mide; n-type calcium channel inhibitors | ONO PHARMACEUTICAL CO., LTD (JP) | 2003-08-12 | — | — | US | disclosed |