Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.37 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 3/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 3/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | POLB | P06746 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | MT-CO2 | P00403 | 1/20 | 0.34 |
| ▸ | DRD2 | P14416 | 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 | |
|---|---|---|---|---|
| SCHEMBL10132867 | 0.70 | MAPT (0.47) | NPC1RAB9AMAPTKMT2AMEN1 | |
| SCHEMBL13485804 | 0.70 | AOC3 (0.46) | NPC1RAB9AMAPTKMT2AMEN1 | |
| SCHEMBL27164937 | 0.66 | MAPK1 (0.39) | NPC1RAB9AMAPTKMT2APTGS2 | |
| SCHEMBL27967472 | 0.65 | AOC3 (0.50) | NPC1RAB9AMAPTKMT2AMEN1 | |
| SCHEMBL8470586 | 0.65 | AOC3 (0.44) | NPC1RAB9AMAPTKMT2AMEN1 | |
| SCHEMBL423788 | 0.64 | AOC3 (0.49) | NPC1RAB9AMAPTKMT2AMEN1 | |
| SCHEMBL422232 | 0.63 | AOC3 (0.47) | NPC1RAB9AMAPTKMT2AMEN1 | |
| SCHEMBL12071539 | 0.63 | AOC3 (0.47) | NPC1RAB9AMAPTKMT2AMEN1 | |
| SCHEMBL26054366 | 0.62 | AOC3 (0.44) | NPC1RAB9AMAPTKMT2AMEN1 | |
| SCHEMBL24469687 | 0.62 | KMT2A (0.51) | MAPTKMT2AMEN1ALDH1A1MAPK1 |
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-2022115301-A1 | MODIFIED ISOINDOLINONES AS GLUCOSYLCERAMIDE SYNTHASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2022-06-02 | — | — | WO | disclosed |