Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CACNA1C | Q13936 | 4/20 | 0.43 |
| ▸ | TSHR | P16473 | 3/20 | 0.43 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.43 |
| ▸ | CACNA1F | O60840 | 3/20 | 0.43 |
| ▸ | CACNA1D | Q01668 | 3/20 | 0.43 |
| ▸ | CACNA1S | Q13698 | 3/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.43 |
| ▸ | MAPT | P10636 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | CACNA1B | Q00975 | 2/20 | 0.43 |
| ▸ | ABCC4 | O15439 | 2/20 | 0.43 |
| ▸ | ABCB11 | O95342 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.43 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.43 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.43 |
| ▸ | SCN1A | P35498 | 2/20 | 0.43 |
| ▸ | HTR2B | P41595 | 2/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL11748301 | 0.85 | ADORA3 (0.60) | CACNA1CTSHRADORA3CACNA1FCACNA1D | |
| SCHEMBL11752019 | 0.83 | POLB (0.34) | TSHRKDM4EMAPTCACNA1BLMNA | |
| SCHEMBL11749151 | 0.82 | KDM4E (0.41) | TSHRADORA3KDM4EMAPTCACNA1B | |
| SCHEMBL11683170 | 0.81 | TSHR (0.65) | CACNA1CTSHRADORA3CACNA1FCACNA1D | |
| SCHEMBL11754347 | 0.81 | TSHR (0.49) | CACNA1CTSHRADORA3CACNA1FCACNA1D | |
| SCHEMBL11752310 | 0.78 | ALDH1A1 (0.57) | TSHRKDM4EMAPTALDH1A1TP53 | |
| SCHEMBL4608919 | 0.78 | CACNA1C (0.64) | CACNA1CTSHRADORA3CACNA1FCACNA1D | |
| SCHEMBL1672208 | 0.77 | TSHR (0.70) | CACNA1CTSHRADORA3CACNA1FCACNA1D | |
| SCHEMBL11780568 | 0.74 | CACNA1B (0.46) | CACNA1CTSHRADORA3CACNA1FCACNA1D | |
| SCHEMBL11752128 | 0.74 | KDM4E (0.41) | CACNA1CTSHRCACNA1FCACNA1DCACNA1S |
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-4048171-A | 1,4-Dihydropyridines | BAYER AKTIENGESELLSCHAFT (DT) | 1977-09-13 | — | — | US | claimed |
| US-4048171-A | 1,4-Dihydropyridines | BAYER AKTIENGESELLSCHAFT (DT) | 1977-09-13 | — | — | US | disclosed |