Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH2 | P25021 | 2/20 | 0.41 |
| ▸ | HRH1 | P35367 | 2/20 | 0.41 |
| ▸ | LTA4H | P09960 | 1/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 2/20 | 0.34 |
| ▸ | CA1 | P00915 | 2/20 | 0.34 |
| ▸ | CA2 | P00918 | 2/20 | 0.34 |
| ▸ | CA9 | Q16790 | 2/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.34 |
| ▸ | CACNA1H | O95180 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.33 |
| ▸ | HTR1A | P08908 | 1/20 | 0.33 |
| ▸ | DRD2 | P14416 | 1/20 | 0.33 |
| ▸ | DRD4 | P21917 | 1/20 | 0.33 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL167121 | 1.00 | HRH2 (0.41) | HRH2HRH1LTA4HSLC6A2SLC6A3 | |
| SCHEMBL167158 | 1.00 | HRH2 (0.41) | HRH2HRH1LTA4HSLC6A2SLC6A3 | |
| SCHEMBL20920823 | 0.89 | GNAI3 (0.41) | SLC6A2SLC6A3HTTCA12CA1 | |
| SCHEMBL25362969 | 0.85 | HRH2 (0.44) | HRH2HRH1LTA4HCYP2D6HRH3 | |
| SCHEMBL25362965 | 0.85 | HRH2 (0.44) | HRH2HRH1LTA4HCYP2D6HRH3 | |
| SCHEMBL22729342 | 0.84 | POLR1A (0.39) | SLC6A2SLC6A3HTTCA12CA1 | |
| SCHEMBL18226089 | 0.84 | POLR1A (0.39) | SLC6A2SLC6A3HTTCA12CA1 | |
| SCHEMBL166995 | 0.81 | PDCD1 (0.40) | LTA4HSLC6A2SLC6A3HTTCA12 | |
| SCHEMBL166996 | 0.81 | PDCD1 (0.40) | LTA4HSLC6A2SLC6A3HTTCA12 | |
| SCHEMBL167048 | 0.81 | PDCD1 (0.40) | LTA4HSLC6A2SLC6A3HTTCA12 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102656179-A | Bufalin derivatives, pharmaceutical compositions and uses thereof | SUZHOU NEUPHARMA CO LTD | 2012-09-05 | — | — | CN | claimed |
| WO-2012027957-A1 | BUFALIN DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USE THEREOF | SUZHOU NEUPHARMA CO., LTD. (CN) | 2012-03-08 | — | — | WO | claimed |
| US-9018197-B2 | Tetradecahydro-1H-cyclopenta[a]phenanthrene compounds, compositions, and related methods of use | SUZHOU NEUPHARMA CO. LTD. (CN) | 2015-04-28 | — | — | US | disclosed |
| CN-102656179-A | Bufalin derivatives, pharmaceutical compositions and uses thereof | SUZHOU NEUPHARMA CO LTD | 2012-09-05 | — | — | CN | disclosed |
| WO-2012027957-A1 | BUFALIN DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USE THEREOF | SUZHOU NEUPHARMA CO., LTD. (CN) | 2012-03-08 | — | — | WO | disclosed |