Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | EBP | Q15125 | 2/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.38 |
| ▸ | DHCR7 | Q9UBM7 | 1/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL11630403 | 0.85 | MAPT (0.39) | HTTALDH1A1LMNAMAPK1HSD17B10 | |
| SCHEMBL11643819 | 0.76 | CYP2D6 (0.41) | HTTALDH1A1CYP2D6TSHR | |
| SCHEMBL11645697 | 0.76 | TAAR1 (0.40) | HTTALDH1A1MAPK1HSD17B10KDM4E | |
| SCHEMBL11628605 | 0.74 | ALDH1A1 (0.44) | CA2SIGMAR1HTTALDH1A1LMNA | |
| SCHEMBL2311298 | 0.74 | CA2 (0.45) | CA2SIGMAR1ALDH1A1MAPK1HSD17B10 | |
| SCHEMBL6625725 | 0.71 | SIGMAR1 (0.63) | SIGMAR1EBPTMEM97 | |
| Benderizine SCHEMBL11673167 | 0.70 | ALDH1A1 (0.47) | SIGMAR1ALDH1A1EBPTMEM97 | |
| Benderizine SCHEMBL1816506 | 0.70 | ALDH1A1 (0.47) | SIGMAR1ALDH1A1EBPTMEM97 | |
| SCHEMBL29756433 | 0.70 | CYP1A2 (0.57) | SIGMAR1ALDH1A1MAPK1KDM4ETSHR | |
| SCHEMBL4324560 | 0.70 | CYP1A2 (0.57) | SIGMAR1ALDH1A1MAPK1KDM4ETSHR |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4031216-A | CARDIAC DISEASE, ARRHYTHMIA | KNOLL A.G. CHEMISCHE FABRIKEN (DT) | 1977-06-21 | — | — | US | claimed |
| US-4079137-A | FOR TREATMENT OF VASCULAR AND CARDIAC DISEASES | KNOLL A.G. CHEMISCHE FABRIKEN (DT) | 1978-03-14 | — | — | US | disclosed |
| US-4031216-A | CARDIAC DISEASE, ARRHYTHMIA | KNOLL A.G. CHEMISCHE FABRIKEN (DT) | 1977-06-21 | — | — | US | disclosed |
| US-3996360-A | ANTIARRHYTHMIA | KNOLL A.G. CHEMISCHE FABRIKEN (DT) | 1976-12-07 | — | — | US | disclosed |