Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PRKAB2 | O43741 | 1/20 | 0.38 |
| ▸ | PRKAG1 | P54619 | 1/20 | 0.38 |
| ▸ | PRKAA2 | P54646 | 1/20 | 0.38 |
| ▸ | PRKAA1 | Q13131 | 1/20 | 0.38 |
| ▸ | PRKAG3 | Q9UGI9 | 1/20 | 0.38 |
| ▸ | PRKAG2 | Q9UGJ0 | 1/20 | 0.38 |
| ▸ | PRKAB1 | Q9Y478 | 1/20 | 0.38 |
| ▸ | PARP1 | P09874 | 1/20 | 0.38 |
| ▸ | AURKA | O14965 | 2/20 | 0.37 |
| ▸ | TPX2 | Q9ULW0 | 2/20 | 0.37 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | DRD1 | P21728 | 1/20 | 0.34 |
| ▸ | RHEB | Q15382 | 2/20 | 0.34 |
| ▸ | AXL | P30530 | 1/20 | 0.34 |
| ▸ | PRKCI | P41743 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7329094 | 0.86 | AURKA (0.49) | PARP1AURKATPX2PIK3CDRHEB | |
| SCHEMBL7336629 | 0.83 | NR4A2 (0.45) | PARP1AURKATPX2PIK3CDMEN1 | |
| SCHEMBL7330190 | 0.82 | RHEB (0.46) | PRKAA1PARP1AURKATPX2PIK3CD | |
| SCHEMBL13115632 | 0.75 | PIK3CD (0.64) | PIK3CDGAAMEN1NPC1RAB9A | |
| SCHEMBL13156764 | 0.74 | AHR (0.44) | MEN1KMT2ACOMT | |
| SCHEMBL8529419 | 0.74 | AXL (0.48) | PARP1RHEBAXLPRKCIP2RX7 | |
| SCHEMBL7326270 | 0.73 | MAP3K11 (0.49) | PRKAG1PRKAA1PRKAB1 | |
| SCHEMBL28609163 | 0.72 | AXL (0.61) | PRKAA1AURKATPX2AXLPRKCI | |
| SCHEMBL30173316 | 0.72 | AXL (0.61) | PRKAA1AURKATPX2AXLPRKCI | |
| SCHEMBL31735771 | 0.69 | BRD4 (0.51) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0674620-A1 | TRYPTAMINE ANALOGUES AS 5-HT 1?-LIKE AGONISTS | SMITHKLINE BEECHAM PLC (GB) | 1995-10-04 | — | — | EP | disclosed |
| WO-1994014771-A1 | TRYPTAMINE ANALOGUES AS 5-HT1-LIKE AGONISTS | SMITHKLINE BEECHAM PLC (GB) | 1994-07-07 | — | — | WO | disclosed |