Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 5/20 | 0.62 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.62 |
| ▸ | MEN1 | O00255 | 2/20 | 0.62 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.62 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.62 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.62 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.60 |
| ▸ | GAA | P10253 | 2/20 | 0.59 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.59 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.56 |
| ▸ | NPC1 | O15118 | 1/20 | 0.56 |
| ▸ | MAPT | P10636 | 1/20 | 0.56 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.56 |
| ▸ | LMNA | P02545 | 1/20 | 0.56 |
| ▸ | TSHR | P16473 | 1/20 | 0.55 |
| ▸ | CA12 | O43570 | 2/20 | 0.55 |
| ▸ | CA1 | P00915 | 2/20 | 0.55 |
| ▸ | CA2 | P00918 | 2/20 | 0.55 |
| ▸ | CA9 | Q16790 | 2/20 | 0.55 |
| ▸ | DRD2 | P14416 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL27739890 | 0.88 | KMT2A (0.65) | KMT2ACYP2C9MEN1CYP1A2CYP3A4 | |
| SCHEMBL8321177 | 0.86 | KMT2A (0.63) | KMT2ACYP2C9MEN1CYP1A2CYP3A4 | |
| SCHEMBL4319359 | 0.86 | KMT2A (0.63) | KMT2ACYP2C9MEN1CYP1A2CYP3A4 | |
| Hydrochloric Acid SCHEMBL27918226 | 0.86 | KMT2A (0.63) | KMT2ACYP2C9MEN1CYP1A2CYP3A4 | |
| SCHEMBL27382893 | 0.85 | HTR1A (0.66) | KMT2ACYP2C9MEN1CYP1A2CYP3A4 | |
| SCHEMBL7058493 | 0.85 | KMT2A (0.62) | KMT2ACYP2C9MEN1CYP1A2CYP3A4 | |
| SCHEMBL11074672 | 0.83 | ADRB1 (0.76) | KMT2ACYP2C9MEN1CYP1A2CYP3A4 | |
| SCHEMBL28083193 | 0.83 | L3MBTL1 (0.71) | KMT2AMEN1ALDH1A1GAATDP1 | |
| SCHEMBL14224740 | 0.82 | LMNA (0.63) | KMT2ACYP2C9MEN1CYP1A2CYP3A4 | |
| SCHEMBL12245534 | 0.82 | KMT2A (0.59) | KMT2ACYP2C9MEN1CYP1A2CYP3A4 |
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-105693718-A | Canthin-6-ketone derivative and preparation method and application thereof | 中国药科大学 | 2016-06-22 | — | — | CN | disclosed |