Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MTHFD2 | P13995 | 2/20 | 0.44 |
| ▸ | P2RX7 | Q99572 | 4/20 | 0.42 |
| ▸ | KIF11 | P52732 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | GRM5 | P41594 | 3/20 | 0.40 |
| ▸ | ACHE | P22303 | 1/20 | 0.40 |
| ▸ | BLM | P54132 | 1/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | TRAP1 | Q12931 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | GBA1 | P04062 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL20042734 | 0.86 | P2RX7 (0.47) | MTHFD2P2RX7KIF11HPGDGRM5 | |
| SCHEMBL20042726 | 0.85 | PKM (0.45) | P2RX7GRM5 | |
| SCHEMBL20042839 | 0.81 | P2RX7 (0.45) | MTHFD2P2RX7HPGDTSHRGBA1 | |
| SCHEMBL20042663 | 0.72 | P2RX7 (0.34) | P2RX7 | |
| SCHEMBL20042685 | 0.71 | HTT (0.42) | P2RX7GRM5KCNH2GBA1 | |
| SCHEMBL19547099 | 0.71 | P2RX7 (0.42) | MTHFD2P2RX7 | |
| SCHEMBL20042684 | 0.70 | SMN1; SMN2 (0.52) | P2RX7HPGDGRM5TSHRKCNH2 | |
| SCHEMBL20042893 | 0.70 | CYP2C19 (0.45) | HPGDACHESIGMAR1 | |
| SCHEMBL31016562 | 0.70 | C5AR1 (0.39) | — | |
| SCHEMBL20042817 | 0.70 | PKM (0.44) | P2RX7HPGDGBA1 |
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 2 patents. 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 |
| WO-2018066718-A1 | THERAPEUTIC COMPOUNDS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2018-04-12 | — | — | WO | disclosed |