Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.44 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.44 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 3/20 | 0.43 |
| ▸ | PREP | P48147 | 1/20 | 0.42 |
| ▸ | RXRA | P19793 | 1/20 | 0.41 |
| ▸ | RXRB | P28702 | 1/20 | 0.41 |
| ▸ | RXRG | P48443 | 1/20 | 0.41 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 3/20 | 0.39 |
| ▸ | RAB9A | P51151 | 3/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.38 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL13035463 | 0.83 | OGA (0.45) | KMT2ALMNARXRARXRBRXRG | |
| Fluoride SCHEMBL14796503 | 0.78 | ACHE (0.43) | KMT2ALMNARXRARXRBRXRG | |
| SCHEMBL5139638 | 0.78 | ACHE (0.43) | KMT2ALMNARXRARXRBRXRG | |
| SCHEMBL24892603 | 0.78 | KMT2A (0.49) | KMT2ATDP1SLC6A2SLC6A3LMNA | |
| SCHEMBL30900540 | 0.78 | MEN1 (0.41) | KMT2APREPRXRARXRBRXRG | |
| SCHEMBL34472414 | 0.76 | CYP1A2 (0.46) | PREP | |
| SCHEMBL30900545 | 0.76 | MEN1 (0.39) | KMT2APREPMEN1NPSR1NPC1 | |
| SCHEMBL26128128 | 0.75 | SMN1; SMN2 (0.44) | KMT2ALMNAMCL1MEN1NPSR1 | |
| SCHEMBL6519027 | 0.75 | ACHE (0.46) | LMNARXRARXRBRXRGMCL1 | |
| SCHEMBL29218328 | 0.75 | ACHE (0.43) | LMNARXRARXRBRXRGMCL1 |
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-2018071283-A1 | KDM5 INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2018-04-19 | — | — | WO | disclosed |