Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | LCK | P06239 | 1/20 | 0.38 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | GRM4 | Q14833 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.34 |
| ▸ | MAPT | P10636 | 3/20 | 0.34 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL10639500 | 0.86 | HSP90AA1 (0.42) | KMT2APOLBGAALMNAHSP90AA1 | |
| SCHEMBL5968103 | 0.86 | LMNA (0.44) | KMT2APOLBGAALMNALCK | |
| SCHEMBL28434512 | 0.78 | HSP90AA1 (0.49) | KMT2APOLBGAAHSP90AA1ALDH1A1 | |
| SCHEMBL268064 | 0.77 | KMT2A (0.44) | KMT2APOLBGAALMNALCK | |
| SCHEMBL28434502 | 0.77 | HSP90AA1 (0.37) | KMT2APOLBGAALMNAHSP90AA1 | |
| SCHEMBL10638295 | 0.77 | ALDH1A1 (0.50) | KMT2AHSP90AA1SMN1; SMN2ALDH1A1KDM4E | |
| SCHEMBL10637129 | 0.76 | PIN1 (0.47) | GAALMNAHSP90AA1ALDH1A1KDM4E | |
| SCHEMBL15916488 | 0.76 | LMNA (0.55) | KMT2APOLBGAALMNALCK | |
| SCHEMBL6264432 | 0.74 | KMT2A (0.45) | KMT2APOLBGAALMNALCK | |
| SCHEMBL10642365 | 0.74 | NCOA1 (0.46) | KMT2AGAALMNASMN1; SMN2RAB9A |
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-109970765-B | Antitumor compound | 中国科学院化学研究所 | 2020-08-11 | — | — | CN | disclosed |