Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | ATR | Q13535 | 1/20 | 0.35 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.34 |
| ▸ | SCN9A | Q15858 | 2/20 | 0.34 |
| ▸ | MGLL | Q99685 | 1/20 | 0.34 |
| ▸ | ACACB | O00763 | 4/20 | 0.33 |
| ▸ | ACACA | Q13085 | 4/20 | 0.33 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.33 |
| ▸ | DDR1 | Q08345 | 5/20 | 0.33 |
| ▸ | PTK2 | Q05397 | 2/20 | 0.33 |
| ▸ | VNN1 | O95497 | 1/20 | 0.33 |
| ▸ | RORC | P51449 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL18530568 | 0.83 | HPGD (0.37) | HPGDPDK2SCN9AMGLLACACB | |
| SCHEMBL18530605 | 0.82 | ATR (0.39) | ATRGABRA5 | |
| SCHEMBL18530661 | 0.82 | DDR1 (0.37) | HPGDSCN9AGABRA5DDR1VNN1 | |
| SCHEMBL18542156 | 0.78 | HPGD (0.37) | HPGDSCN9AACACBDDR1RORC | |
| SCHEMBL18317255 | 0.78 | ATR (0.38) | HPGDATRGABRA5PTK2RORC | |
| SCHEMBL18530652 | 0.73 | PAK4 (0.38) | HPGDGABRA5 | |
| SCHEMBL18530546 | 0.73 | HPGD (0.35) | HPGD | |
| SCHEMBL18530589 | 0.73 | PAK4 (0.56) | DDR1RORC | |
| SCHEMBL18530592 | 0.73 | PAK4 (0.56) | DDR1RORC | |
| SCHEMBL18317597 | 0.73 | PAK4 (0.42) | HPGDATRSCN9AGABRA5 |
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-3337796-A1 | 3-(PYRIDIN-3-YL)-ACRYLAMIDE AND N-(PYRIDIN-3-YL)-ACRYLAMIDE DERIVATIVES AND THEIR USE AS PAK OR NAMPT MODULATORS | Karyopharm Therapeutics, Inc. (US) | 2018-06-27 | — | — | EP | disclosed |
| WO-2017031213-A1 | 3-(PYRIDIN-3-YL)-ACRYLAMIDE AND N-(PYRIDIN-3-YL)-ACRYLAMIDE DERIVATIVES AND THEIR USE AS PAK OR NAMPT MODULATORS | Karyopharm Therapeutics Inc. (US) | 2017-02-23 | — | — | WO | disclosed |