Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 4/20 | 0.41 |
| ▸ | ADRA1A | P35348 | 3/20 | 0.39 |
| ▸ | ADRA1B | P35368 | 2/20 | 0.39 |
| ▸ | PRKCZ | Q05513 | 3/20 | 0.38 |
| ▸ | PRKD3 | O94806 | 2/20 | 0.38 |
| ▸ | PRKCG | P05129 | 2/20 | 0.38 |
| ▸ | PRKCB | P05771 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.38 |
| ▸ | PRKCA | P17252 | 2/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.38 |
| ▸ | PRKCH | P24723 | 2/20 | 0.38 |
| ▸ | PRKCI | P41743 | 2/20 | 0.38 |
| ▸ | PRKCE | Q02156 | 2/20 | 0.38 |
| ▸ | PRKCQ | Q04759 | 2/20 | 0.38 |
| ▸ | PRKCD | Q05655 | 2/20 | 0.38 |
| ▸ | PRKD1 | Q15139 | 2/20 | 0.38 |
| ▸ | GLA | P06280 | 1/20 | 0.38 |
| ▸ | HTR7 | P34969 | 4/20 | 0.37 |
| ▸ | HTR1A | P08908 | 3/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL28393089 | 0.82 | PRKD3 (0.54) | PRKCZPRKD3PRKCGPRKCBCYP3A4 | |
| SCHEMBL2199067 | 0.80 | CA1 (0.52) | CYP3A4HTR6LMNAMEN1KMT2A | |
| SCHEMBL9278016 | 0.80 | PRKCZ (0.41) | CYP17A1ADRA1AADRA1BPRKCZPRKD3 | |
| SCHEMBL2761905 | 0.79 | CA1 (0.50) | CYP3A4HTR6LMNAMEN1KMT2A | |
| SCHEMBL8332473 | 0.79 | CA1 (0.50) | CYP3A4HTR6LMNAMEN1KMT2A | |
| SCHEMBL28591143 | 0.76 | PRKD3 (0.49) | PRKCZPRKD3PRKCGPRKCBCYP3A4 | |
| SCHEMBL2376082 | 0.76 | CYP17A1 (0.42) | CYP17A1ADRA1AADRA1BPRKCZPRKD3 | |
| Formaldehyde SCHEMBL18139835 | 0.76 | CA1 (0.47) | CYP3A4HTR6LMNAMEN1KMT2A | |
| SCHEMBL2202434 | 0.75 | HTT (0.47) | CYP17A1CYP3A4CYP2D6LMNAMEN1 | |
| SCHEMBL29415266 | 0.73 | GAA (0.39) | HTR6LMNADRD2MEN1KMT2A |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109374811-B | Method for detecting 5-isoquinoline ethyl sulfonate in fasudil hydrochloride | 昆药集团股份有限公司 | 2020-11-03 | — | — | CN | disclosed |