Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMPD1 | P17405 | 3/20 | 0.50 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.42 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.42 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 5/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 5/20 | 0.42 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.42 |
| ▸ | NCOR1 | O75376 | 1/20 | 0.42 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.42 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.42 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.41 |
| ▸ | DHODH | Q02127 | 1/20 | 0.41 |
| ▸ | CSNK1D | P48730 | 1/20 | 0.40 |
| ▸ | WNT3A | P56704 | 1/20 | 0.40 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.40 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL13188812 | 0.89 | ADORA3 (0.47) | SMPD1ADORA3ADORA1ADORA2AHDAC1 | |
| SCHEMBL13188377 | 0.88 | WNT3A (0.49) | SMPD1HDAC6DHODHWNT3A | |
| SCHEMBL13188622 | 0.87 | SMPD1 (0.52) | SMPD1HDAC6HDAC1HDAC3HDAC2 | |
| SCHEMBL13188617 | 0.80 | HDAC6 (0.50) | SMPD1HDAC6HDAC1HDAC3NCOR1 | |
| SCHEMBL13188515 | 0.80 | HDAC6 (0.45) | SMPD1ADORA3ADORA1ADORA2AHDAC6 | |
| SCHEMBL13188800 | 0.79 | HDAC1 (0.55) | SMPD1ADORA3ADORA1HDAC6HDAC1 | |
| SCHEMBL13187833 | 0.79 | ADORA3 (0.53) | SMPD1ADORA3ADORA1ADORA2AHDAC6 | |
| SCHEMBL13188875 | 0.79 | MKNK1 (0.55) | SMPD1ADORA3ADORA1HDAC6HDAC1 | |
| SCHEMBL13187746 | 0.79 | DEGS1 (0.60) | SMPD1ADORA3ADORA1HDAC6HDAC1 | |
| SCHEMBL13188334 | 0.79 | HDAC6 (0.43) | SMPD1ADORA3ADORA1ADORA2AHDAC6 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010100475-A1 | HYDROXAMIC ACID DERIVATIVES AS GRAM-NEGATIVE ANTIBACTERIAL AGENTS | ASTRAZENECA AB (SE) | 2010-09-10 | — | — | WO | disclosed |