Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.40 |
| ▸ | PARP1 | P09874 | 1/20 | 0.38 |
| ▸ | PDK2 | Q15119 | 2/20 | 0.38 |
| ▸ | SCN9A | Q15858 | 5/20 | 0.36 |
| ▸ | SCN10A | Q9Y5Y9 | 1/20 | 0.36 |
| ▸ | HAO1 | Q9UJM8 | 1/20 | 0.36 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.35 |
| ▸ | KMO | O15229 | 1/20 | 0.35 |
| ▸ | HNF4A | P41235 | 1/20 | 0.35 |
| ▸ | SLC9A1 | P19634 | 1/20 | 0.33 |
| ▸ | AKR1C3 | P42330 | 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 | |
|---|---|---|---|---|
| SCHEMBL16704113 | 0.85 | PDK2 (0.43) | PARP1PDK2SCN9ASCN10AALDH1A1 | |
| SCHEMBL16704193 | 0.84 | PARP1 (0.39) | PARP1PDK2SCN9ASCN10AKMO | |
| SCHEMBL18092820 | 0.78 | STK10 (0.44) | PARP1PDK2SCN9ASCN10AALDH1A1 | |
| SCHEMBL16704104 | 0.74 | SCN9A (0.41) | PARP1PDK2SCN9ASCN10AALDH1A1 | |
| SCHEMBL30608075 | 0.68 | PARP1 (0.56) | PARP1PDK2SCN9ASCN10AAKR1C2 | |
| SCHEMBL5143960 | 0.68 | PARP1 (0.56) | PARP1PDK2SCN9ASCN10AAKR1C2 | |
| SCHEMBL4776516 | 0.66 | PARP1 (0.52) | PARP1PDK2SCN9ASCN10AALDH1A1 | |
| SCHEMBL6173681 | 0.66 | PARP1 (0.52) | PARP1PDK2SCN9ASCN10AALDH1A1 | |
| SCHEMBL6865700 | 0.66 | FFAR1 (0.49) | NPC1RAB9AFFAR1PDK2HAO1 | |
| SCHEMBL13103198 | 0.66 | HAO1 (0.53) | NPC1RAB9AFFAR1PDK2HAO1 |
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-3065728-A1 | NOVEL METHODS | Aeromics, Inc. (US) | 2016-09-14 | — | — | EP | disclosed |
| WO-2015069948-A1 | NOVEL METHODS | AEROMICS, LLC (US) | 2015-05-14 | — | — | WO | disclosed |