Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SCD | O00767 | 2/20 | 0.62 |
| ▸ | MMP13 | P45452 | 1/20 | 0.62 |
| ▸ | KMT2A | Q03164 | 8/20 | 0.60 |
| ▸ | MAPT | P10636 | 5/20 | 0.60 |
| ▸ | NPC1 | O15118 | 8/20 | 0.60 |
| ▸ | RAB9A | P51151 | 8/20 | 0.60 |
| ▸ | MEN1 | O00255 | 6/20 | 0.60 |
| ▸ | POLB | P06746 | 1/20 | 0.60 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.52 |
| ▸ | HTT | P42858 | 2/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.52 |
| ▸ | DHODH | Q02127 | 2/20 | 0.52 |
| ▸ | LMNA | P02545 | 2/20 | 0.52 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.52 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL16562255 | 0.90 | SCD (0.76) | SCDMMP13KMT2AMAPTNPC1 | |
| SCHEMBL28900711 | 0.82 | SCD (0.59) | SCDKMT2AMAPTNPC1RAB9A | |
| SCHEMBL28469823 | 0.82 | SCD (0.59) | SCDKMT2AMAPTNPC1RAB9A | |
| SCHEMBL28481031 | 0.80 | RAB9A (0.80) | SCDMMP13KMT2AMAPTNPC1 | |
| SCHEMBL28475711 | 0.80 | SCD (0.56) | SCDKMT2AMAPTNPC1RAB9A | |
| SCHEMBL22468085 | 0.79 | SCD (0.56) | SCDMMP13KMT2AMAPTNPC1 | |
| SCHEMBL13265793 | 0.77 | SCD (0.76) | SCDMMP13KMT2AMAPTNPC1 | |
| SCHEMBL28472888 | 0.77 | NPC1 (0.64) | SCDKMT2AMAPTNPC1RAB9A | |
| SCHEMBL28475380 | 0.77 | NPC1 (0.63) | SCDKMT2AMAPTNPC1RAB9A | |
| SCHEMBL4919533 | 0.77 | SCD (1.00) | SCDMMP13KMT2AMAPTNPC1 |
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-111836803-A | Compounds and their use in the treatment of cancer | 国家科学研究中心 | 2020-10-27 | — | — | CN | disclosed |