Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.38 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.37 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.36 |
| ▸ | BLM | P54132 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.35 |
| ▸ | CACNA1F | O60840 | 2/20 | 0.35 |
| ▸ | CACNA1D | Q01668 | 2/20 | 0.35 |
| ▸ | CACNA1S | Q13698 | 2/20 | 0.35 |
| ▸ | CACNA1C | Q13936 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | HTR2C | P28335 | 2/20 | 0.35 |
| ▸ | ABCC9 | O60706 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7913694 | 0.88 | HRH3 (0.36) | KDM4EPOLBCHRM2CHRM1ALDH1A1 | |
| SCHEMBL7906633 | 0.87 | CACNA1F (0.36) | KDM4EPOLBCHRM2CHRM1ALDH1A1 | |
| SCHEMBL7906631 | 0.87 | CACNA1F (0.36) | KDM4EPOLBCHRM2CHRM1ALDH1A1 | |
| SCHEMBL7916201 | 0.84 | KDM4E (0.39) | KDM4EALDH1A1SMN1; SMN2HRH3KCNH2 | |
| SCHEMBL7916207 | 0.84 | KDM4E (0.39) | KDM4EALDH1A1SMN1; SMN2HRH3KCNH2 | |
| SCHEMBL7906569 | 0.84 | KDM4E (0.39) | KDM4EPOLBCHRM2CHRM1ALDH1A1 | |
| SCHEMBL7602644 | 0.82 | HRH3 (0.35) | ALDH1A1SMN1; SMN2HRH3SLC6A4CACNA1F | |
| SCHEMBL7418138 | 0.81 | SIGMAR1 (0.36) | KDM4EALDH1A1SIGMAR1HRH3KCNH2 | |
| SCHEMBL8142324 | 0.81 | KDM4E (0.42) | KDM4EPOLBCHRM2CHRM1ALDH1A1 | |
| Hydrochloric Acid SCHEMBL8133640 | 0.80 | KDM4E (0.41) | KDM4EPOLBCHRM2CHRM1ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-6218538-B1 | ANTAGONISTS OF N-TYPE NEURONAL CALCIUM CHANNELS USEFUL IN THE TREATMENT OF CEREBROVASCULAR ISCHAEMIA AND PAIN. | ASTRA AKTIEBOLAG (SE) | 2001-04-17 | — | — | US | claimed |
| US-6218538-B1 | ANTAGONISTS OF N-TYPE NEURONAL CALCIUM CHANNELS USEFUL IN THE TREATMENT OF CEREBROVASCULAR ISCHAEMIA AND PAIN. | ASTRA AKTIEBOLAG (SE) | 2001-04-17 | — | — | US | disclosed |