Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
| ▸ | CA12 | O43570 | 1/20 | 0.50 |
| ▸ | CA1 | P00915 | 1/20 | 0.50 |
| ▸ | CA2 | P00918 | 1/20 | 0.50 |
| ▸ | CA4 | P22748 | 1/20 | 0.50 |
| ▸ | CA6 | P23280 | 1/20 | 0.50 |
| ▸ | CA7 | P43166 | 1/20 | 0.50 |
| ▸ | TPMT | P51580 | 1/20 | 0.50 |
| ▸ | CA9 | Q16790 | 1/20 | 0.50 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | TSHR | P16473 | 3/20 | 0.47 |
| ▸ | RAB9A | P51151 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | RXRA | P19793 | 2/20 | 0.44 |
| ▸ | RXRB | P28702 | 2/20 | 0.44 |
| ▸ | HTT | P42858 | 2/20 | 0.44 |
| ▸ | EP300 | Q09472 | 2/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL3545163 | 0.88 | KMT2A (0.58) | KMT2ACA12CA1CA2CA4 | |
| SCHEMBL1015345 | 0.83 | CA12 (0.73) | KMT2ACA12CA1CA2CA4 | |
| SCHEMBL28826353 | 0.81 | CA12 (0.76) | CA12CA1CA2CA4CA6 | |
| SCHEMBL28173230 | 0.81 | KMT2A (0.50) | KMT2ACA12CA1CA2CA4 | |
| SCHEMBL21079189 | 0.81 | PDE4A (0.52) | KMT2ACA12CA1CA2CA4 | |
| SCHEMBL2586815 | 0.81 | KMT2A (0.50) | KMT2ACA12CA1CA2CA4 | |
| SCHEMBL7362652 | 0.81 | PDE4A (0.52) | KMT2ACA12CA1CA2CA4 | |
| SCHEMBL3924278 | 0.80 | CA12 (0.73) | KMT2ACA12CA1CA2CA4 | |
| SCHEMBL16098877 | 0.80 | CA12 (0.73) | CA12CA1CA2CA4CA6 | |
| SCHEMBL7089045 | 0.79 | TSHR (0.65) | KMT2ACA12CA1CA2CA4 |
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-104136442-B | Pyrans spirocyclic piperidine amide-type as ion channel modulators | 沃泰克斯药物股份有限公司 | 2016-12-21 | — | — | CN | disclosed |