Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR3C2 | P08235 | 3/20 | 0.48 |
| ▸ | CACNA1C | Q13936 | 4/20 | 0.46 |
| ▸ | ACHE | P22303 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 5/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.46 |
| ▸ | MEN1 | O00255 | 3/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.46 |
| ▸ | THPO | P40225 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | CACNA1F | O60840 | 2/20 | 0.44 |
| ▸ | CACNA1D | Q01668 | 2/20 | 0.44 |
| ▸ | CACNA1S | Q13698 | 2/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | MLNR | O43193 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL6950267 | 0.87 | CYP1A2 (0.58) | CACNA1CACHECYP3A4CYP2C9CYP2C19 | |
| SCHEMBL10988598 | 0.87 | CACNA1F (0.61) | CACNA1CCACNA1FCACNA1DCACNA1S | |
| SCHEMBL8091053 | 0.82 | NR3C2 (0.48) | NR3C2CACNA1CCYP3A4CYP2C9CYP2C19 | |
| SCHEMBL11276232 | 0.82 | TSHR (0.39) | NR3C2CACNA1CACHECYP3A4CYP2C9 | |
| SCHEMBL10695488 | 0.81 | CACNA1C (0.61) | NR3C2CACNA1CACHECYP3A4CYP2C9 | |
| SCHEMBL11376558 | 0.81 | NR3C2 (0.52) | NR3C2CACNA1CCYP3A4CYP2C9CYP2C19 | |
| SCHEMBL11102848 | 0.81 | KDM4E (0.62) | NR3C2CACNA1CCYP3A4CYP2C9CYP2C19 | |
| SCHEMBL10748814 | 0.80 | CYP1A2 (0.72) | NR3C2CACNA1CCYP3A4CYP2C9CYP2C19 | |
| SCHEMBL11131329 | 0.80 | CACNA1C (0.44) | NR3C2CACNA1CCYP3A4CYP2C9CYP2C19 | |
| SCHEMBL8790137 | 0.80 | TBXA2R (0.49) | CACNA1CCYP3A4CYP2C9CYP2C19CYP1A2 |
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-4483985-A | ALKALINE HYDROLYSIS OF ESTER GROUP | BAYER AKTIENGESELLSCHAFT (DE) | 1984-11-20 | — | — | US | disclosed |
| US-4285955-A | CARDIOTONIC, HYPOTENSIVE, AND ANTISPASMOTIC AGENTS; VASODILATION | BAYER AKTIENGESELLSCHAFT (DE) | 1981-08-25 | — | — | US | disclosed |