Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM5 | P41594 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | P2RX7 | Q99572 | 4/20 | 0.38 |
| ▸ | TP53 | P04637 | 2/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | GBA1 | P04062 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | PROKR1 | Q8TCW9 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | CASP1 | P29466 | 1/20 | 0.34 |
| ▸ | CASP7 | P55210 | 1/20 | 0.34 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.33 |
| ▸ | FABP3 | P05413 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | FABP4 | P15090 | 1/20 | 0.33 |
| ▸ | FABP5 | Q01469 | 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 | |
|---|---|---|---|---|
| SCHEMBL20042689 | 0.94 | P2RX7 (0.39) | GRM5P2RX7TP53THRBTDP1 | |
| SCHEMBL20042863 | 0.89 | GRM5 (0.42) | GRM5P2RX7TP53THRBTDP1 | |
| SCHEMBL20042656 | 0.87 | KDM4E (0.37) | GRM5HPGDP2RX7TP53THRB | |
| SCHEMBL20042702 | 0.87 | P2RX7 (0.49) | P2RX7HSD17B10TSHRCYP3A4CYP2D6 | |
| SCHEMBL20042674 | 0.86 | P2RX7 (0.37) | P2RX7TP53THRBTDP1GBA1 | |
| SCHEMBL20042771 | 0.86 | P2RX7 (0.47) | GRM5HPGDP2RX7KDM4ETSHR | |
| SCHEMBL20042751 | 0.85 | HSD17B10 (0.49) | HPGDP2RX7GBA1HSD17B10KDM4E | |
| SCHEMBL20042743 | 0.85 | P2RX7 (0.40) | HPGDP2RX7GBA1HSD17B10KDM4E | |
| SCHEMBL20042861 | 0.84 | P2RX7 (0.39) | GRM5HPGDP2RX7HSD17B10KDM4E | |
| SCHEMBL20043028 | 0.84 | KDM4E (0.40) | GRM5HPGDP2RX7TP53TDP1 |
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 |