Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 4/20 | 0.32 |
| ▸ | NPC1 | O15118 | 3/20 | 0.32 |
| ▸ | LMNA | P02545 | 2/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.31 |
| ▸ | TRPM5 | Q9NZQ8 | 1/20 | 0.31 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.31 |
| ▸ | ATM | Q13315 | 1/20 | 0.30 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.30 |
| ▸ | PIK3R1 | P27986 | 1/20 | 0.30 |
| ▸ | HTT | P42858 | 1/20 | 0.30 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL24405524 | 0.70 | SIGMAR1 (0.36) | ALDH1A1KDM4EMEN1KMT2ARAB9A | |
| SCHEMBL24405725 | 0.69 | MAOA (0.39) | ALDH1A1KDM4EMEN1KMT2ARAB9A | |
| SCHEMBL487359 | 0.66 | — | — | |
| SCHEMBL2089948 | 0.65 | ALDH1A1 (0.38) | ALDH1A1MEN1KMT2AGAALMNA | |
| SCHEMBL20344637 | 0.63 | TP53 (0.35) | ALDH1A1LMNA | |
| SCHEMBL487536 | 0.62 | CHRNB2 (0.36) | KMT2A | |
| SCHEMBL2091660 | 0.61 | ALDH1A1 (0.41) | ALDH1A1MEN1KMT2ALMNASMN1; SMN2 | |
| SCHEMBL24405832 | 0.60 | OPRM1 (0.39) | ALDH1A1GAARAB9ANPC1LMNA | |
| SCHEMBL22713407 | 0.60 | LMNA (0.35) | LMNA | |
| SCHEMBL2092857 | 0.59 | ALDH1A1 (0.40) | ALDH1A1MEN1KMT2ALMNASMN1; SMN2 |
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-2021226003-A1 | IL4I1 INHIBITORS AND METHODS OF USE | MERCK SHARP & DOHME CORP. (US) | 2021-11-11 | — | — | WO | disclosed |