Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 4/20 | 0.33 |
| ▸ | RAB9A | P51151 | 4/20 | 0.33 |
| ▸ | POLB | P06746 | 2/20 | 0.33 |
| ▸ | GAA | P10253 | 2/20 | 0.33 |
| ▸ | NOS3 | P29474 | 1/20 | 0.33 |
| ▸ | NOS1 | P29475 | 1/20 | 0.33 |
| ▸ | NOS2 | P35228 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.32 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.32 |
| ▸ | MAPT | P10636 | 3/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 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 | |
|---|---|---|---|---|
| SCHEMBL18618028 | 0.85 | TRPA1 (0.36) | TRPA1CYP1A2CYP2A6NPC1RAB9A | |
| SCHEMBL12961122 | 0.81 | TRPA1 (0.34) | TRPA1CYP1A2CYP2A6NPC1RAB9A | |
| SCHEMBL20019585 | 0.80 | GABRA1 (0.40) | POLBMEN1KMT2AMAPTALDH1A1 | |
| SCHEMBL13726454 | 0.80 | ESR1 (0.37) | — | |
| SCHEMBL13872268 | 0.75 | HSD17B10 (0.33) | NPC1RAB9APOLBMEN1KMT2A | |
| SCHEMBL7939160 | 0.74 | PDE3B (0.35) | TRPA1CYP1A2CYP2A6RAB9APOLB | |
| SCHEMBL14375253 | 0.72 | HRH3 (0.53) | ALDH1A1LMNATSHR | |
| SCHEMBL12961124 | 0.72 | TRPA1 (0.35) | TRPA1CYP1A2CYP2A6NPC1RAB9A | |
| SCHEMBL19869623 | 0.71 | KDM4E (0.35) | POLBNOS3NOS1MEN1KMT2A | |
| SCHEMBL1307995 | 0.71 | SMN1; SMN2 (0.51) | NPC1RAB9ANOS1MEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| EP-3724190-B1 | SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS AS PRMT5 INHIBITORS | LUPIN LTD (IN) | 2022-07-06 | — | — | EP | disclosed |