Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | GRM5 | P41594 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | CES2 | O00748 | 1/20 | 0.38 |
| ▸ | CES1 | P23141 | 1/20 | 0.38 |
| ▸ | ESR1 | P03372 | 1/20 | 0.38 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL30158054 | 0.96 | KMT2A (0.48) | KMT2ACYP1A2GAACYP2C9HPGD | |
| SCHEMBL30158275 | 0.88 | KMT2A (0.34) | KMT2ACYP1A2GAACYP2C9HPGD | |
| SCHEMBL30158277 | 0.85 | HPGD (0.45) | KMT2ACYP2C9HPGDCYP2C19MEN1 | |
| SCHEMBL30158279 | 0.85 | RAB9A (0.38) | KMT2ANPC1RAB9AMEN1MAPK1 | |
| SCHEMBL30158161 | 0.85 | KMT2A (0.43) | KMT2AGAAHPGDMEN1 | |
| SCHEMBL30158191 | 0.84 | ALDH1A1 (0.51) | GAACYP2C9HPGDCYP2C19NPC1 | |
| SCHEMBL30157975 | 0.82 | HPGD (0.44) | KMT2ACYP2C9HPGDCYP2C19MEN1 | |
| SCHEMBL30158112 | 0.81 | DHODH (0.34) | KMT2ACYP1A2GAACYP2C9HPGD | |
| SCHEMBL30158212 | 0.81 | RAB9A (0.41) | KMT2ANPC1RAB9AMEN1CES2 | |
| SCHEMBL30158079 | 0.81 | ALDH1A1 (0.50) | GAAHPGDNPC1RAB9ASMN1; 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-2023277630-A1 | GALACTOSIDE DERIVATIVE AS GALECTIN-3 INHIBITOR | 주식회사 티움바이오 | 2023-01-05 | — | — | WO | disclosed |