Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.44 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.41 |
| ▸ | KIT | P10721 | 1/20 | 0.41 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 4/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | POLB | P06746 | 2/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.38 |
| ▸ | PGR | P06401 | 1/20 | 0.38 |
| ▸ | AR | P10275 | 1/20 | 0.38 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.38 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.38 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL7880231 | 0.91 | CYP3A4 (0.53) | CYP3A4KITCYP2C9HDAC1HDAC8 | |
| SCHEMBL7869096 | 0.90 | CYP3A4 (0.45) | CYP3A4KITHSD17B2CYP2C9MAPT | |
| SCHEMBL7877658 | 0.89 | CYP3A4 (0.42) | CYP3A4KITCYP2C9HDAC1HDAC8 | |
| SCHEMBL298315 | 0.84 | CYP3A4 (0.49) | CYP3A4NTRK1KITHSD17B2CYP2C9 | |
| SCHEMBL7875675 | 0.84 | BRD4 (0.42) | CYP3A4NTRK1KITCYP2C9MAPT | |
| SCHEMBL7868957 | 0.82 | CYP3A4 (0.51) | CYP3A4HSD17B2CYP2C9MAPTPOLB | |
| SCHEMBL298650 | 0.81 | BRAF (0.51) | CYP3A4NTRK1KITHSD17B2MAPT | |
| SCHEMBL7872497 | 0.81 | BRAF (0.56) | CYP3A4KITCYP2C9PGRRIPK1 | |
| SCHEMBL7876631 | 0.81 | BRAF (0.38) | CYP3A4KITCYP2C9RIPK1BRAF | |
| SCHEMBL7869167 | 0.80 | CYP2C9 (0.44) | CYP3A4HSD17B2CYP2C9MAPTMEN1 |
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-2010129570-A1 | SOLID FORMS OF SULFONAMIDES AND AMINO ACIDS | PLEXXIKON, INC. (US) | 2010-11-11 | — | — | WO | disclosed |