Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 6/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.53 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.53 |
| ▸ | CA1 | P00915 | 2/20 | 0.49 |
| ▸ | CA2 | P00918 | 2/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.44 |
| ▸ | CTSB | P07858 | 2/20 | 0.44 |
| ▸ | TP53 | P04637 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.44 |
| ▸ | CASP6 | P55212 | 1/20 | 0.44 |
| ▸ | CTSH | P09668 | 1/20 | 0.44 |
| ▸ | GPR35 | Q9HC97 | 2/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA7 | P43166 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL29197128 | 0.86 | TDP1 (0.57) | TSHRTDP1L3MBTL1CA1CA2 | |
| SCHEMBL3957334 | 0.86 | TDP1 (0.47) | TSHRTDP1L3MBTL1SMN1; SMN2CTSB | |
| SCHEMBL1585078 | 0.84 | TDP1 (0.64) | TSHRTDP1L3MBTL1CA1CA2 | |
| SCHEMBL787115 | 0.82 | TSHR (0.62) | TSHRTDP1L3MBTL1CA1CA2 | |
| SCHEMBL7093885 | 0.82 | TSHR (0.62) | TSHRTDP1L3MBTL1CA1CA2 | |
| SCHEMBL6356761 | 0.81 | CA1 (0.51) | TSHRTDP1L3MBTL1CA1CA2 | |
| SCHEMBL30487560 | 0.81 | CA1 (0.51) | TSHRTDP1L3MBTL1CA1CA2 | |
| SCHEMBL12031542 | 0.81 | TDP1 (0.43) | TSHRTDP1L3MBTL1SMN1; SMN2CTSB | |
| SCHEMBL23985860 | 0.81 | TSHR (0.51) | TSHRTDP1L3MBTL1CA1CA2 | |
| SCHEMBL543983 | 0.81 | TSHR (0.51) | TSHRTDP1L3MBTL1CA1CA2 |
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-7235570-B2 | 1,4-dihydropyridine and pyridine compounds as calcium channel blockers | VITTAL MALLYA SCIENTIFIC RESEARCH (IN) | 2007-06-26 | — | — | US | disclosed |
| US-6852742-B2 | 1,4-dihydropyridine and pyridine compounds as calcium channel blockers | VITTAL MALLYA SCIENTIFIC RESEARCH FOUNDATION (IN) | 2005-02-08 | — | — | US | disclosed |