Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RX7 | Q99572 | 4/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 7/20 | 0.39 |
| ▸ | TSHR | P16473 | 6/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.38 |
| ▸ | USP2 | O75604 | 3/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | RHOC | P08134 | 2/20 | 0.37 |
| ▸ | RHOA | P61586 | 2/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | CNR2 | P34972 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL20042689 | 0.90 | P2RX7 (0.39) | P2RX7CYP3A4CYP2D6CYP2C9USP2 | |
| SCHEMBL20042863 | 0.87 | GRM5 (0.42) | P2RX7 | |
| SCHEMBL20042854 | 0.87 | GRM5 (0.42) | P2RX7CYP3A4TSHRCYP2D6CYP2C9 | |
| SCHEMBL20042861 | 0.86 | P2RX7 (0.39) | P2RX7TSHRMAPTHSD17B10 | |
| SCHEMBL20042652 | 0.85 | P2RX7 (0.66) | P2RX7MAPTMEN1KMT2ASMN1; SMN2 | |
| SCHEMBL20042704 | 0.85 | P2RX7 (0.50) | P2RX7TSHRCYP2C19CYP1A2CYP2C9 | |
| SCHEMBL20042656 | 0.82 | KDM4E (0.37) | P2RX7TSHRHIF1AHSD17B10MEN1 | |
| SCHEMBL20043089 | 0.82 | P2RX7 (0.52) | P2RX7HSD17B10SMN1; SMN2 | |
| SCHEMBL20042674 | 0.82 | P2RX7 (0.37) | P2RX7HSD17B10MEN1KMT2A | |
| SCHEMBL20042771 | 0.82 | P2RX7 (0.47) | P2RX7CYP3A4TSHRCYP1A2MAPT |
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-2018066718-A1 | THERAPEUTIC COMPOUNDS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2018-04-12 | — | — | WO | disclosed |