Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 6/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.51 |
| ▸ | MEN1 | O00255 | 2/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.51 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.51 |
| ▸ | POLB | P06746 | 2/20 | 0.47 |
| ▸ | POLM | Q9NP87 | 2/20 | 0.46 |
| ▸ | POLK | Q9UBT6 | 2/20 | 0.46 |
| ▸ | POLL | Q9UGP5 | 2/20 | 0.46 |
| ▸ | POLH | Q9Y253 | 2/20 | 0.46 |
| ▸ | NPC1 | O15118 | 2/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | MAOA | P21397 | 1/20 | 0.45 |
| ▸ | MAOB | P27338 | 1/20 | 0.45 |
| ▸ | SRC | P12931 | 1/20 | 0.44 |
| ▸ | BLM | P54132 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL28215263 | 0.99 | KMT2A (0.55) | KMT2ASMN1; SMN2ALDH1A1MEN1MAPK1 | |
| SCHEMBL11202479 | 0.96 | KMT2A (0.54) | KMT2ASMN1; SMN2ALDH1A1MEN1MAPK1 | |
| SCHEMBL1665199 | 0.90 | ALDH1A1 (0.50) | KMT2ASMN1; SMN2ALDH1A1MEN1TDP1 | |
| SCHEMBL4646611 | 0.87 | KMT2A (0.58) | KMT2ASMN1; SMN2ALDH1A1MEN1TDP1 | |
| SCHEMBL10407331 | 0.86 | KMT2A (0.60) | KMT2ASMN1; SMN2ALDH1A1MEN1MAPK1 | |
| SCHEMBL8405250 | 0.86 | KMT2A (0.52) | KMT2ASMN1; SMN2ALDH1A1MEN1MAPK1 | |
| SCHEMBL4642005 | 0.86 | KMT2A (0.56) | KMT2ASMN1; SMN2ALDH1A1MEN1TDP1 | |
| SCHEMBL4643923 | 0.85 | KMT2A (0.55) | KMT2ASMN1; SMN2ALDH1A1MEN1TDP1 | |
| SCHEMBL4647125 | 0.85 | KMT2A (0.55) | KMT2ASMN1; SMN2ALDH1A1MEN1TDP1 | |
| SCHEMBL27882845 | 0.85 | KMT2A (0.51) | KMT2ASMN1; SMN2ALDH1A1MEN1MAPK1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-108047105-B | 3-/4-ester-group-substituted benzaldehyde thiosemicarbazone derivative and preparation and application thereof | 广东轻工职业技术学院 | 2020-06-26 | — | — | CN | disclosed |