Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSS | P25774 | 3/20 | 0.45 |
| ▸ | CTSK | P43235 | 2/20 | 0.45 |
| ▸ | P2RX7 | Q99572 | 5/20 | 0.40 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.40 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.40 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.40 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.40 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.40 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.40 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.40 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.40 |
| ▸ | NOS3 | P29474 | 2/20 | 0.39 |
| ▸ | NOS1 | P29475 | 2/20 | 0.39 |
| ▸ | NOS2 | P35228 | 2/20 | 0.39 |
| ▸ | SLC9A1 | P19634 | 1/20 | 0.38 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.38 |
| ▸ | NOTUM | Q6P988 | 2/20 | 0.36 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.36 |
| ▸ | HTR3B | O95264 | 1/20 | 0.36 |
| ▸ | HTR3A | P46098 | 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 | |
|---|---|---|---|---|
| SCHEMBL4588829 | 0.84 | GRIN2D (0.50) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| SCHEMBL324095 | 0.75 | CTSS (0.57) | CTSSCTSKP2RX7 | |
| SCHEMBL29542921 | 0.75 | CTSS (0.57) | CTSSCTSKP2RX7 | |
| Hydrochloric Acid SCHEMBL27843312 | 0.74 | CTSS (0.56) | CTSSCTSKP2RX7 | |
| SCHEMBL1043059 | 0.72 | P2RX7 (0.57) | CTSSCTSKP2RX7MRGPRX4NOTUM | |
| SCHEMBL1513863 | 0.71 | CYP3A4 (0.47) | CTSSCTSKP2RX7MRGPRX4NOTUM | |
| SCHEMBL2575859 | 0.71 | P2RX7 (0.48) | CTSSCTSKP2RX7 | |
| SCHEMBL28311763 | 0.71 | CTSS (0.55) | CTSSCTSKP2RX7 | |
| SCHEMBL6186413 | 0.70 | HTR3E (0.57) | NOS3NOS1NOS2HTR3EHTR3B | |
| SCHEMBL422330 | 0.69 | TSHR (0.57) | CTSSCTSKP2RX7MRGPRX4 |
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 |
|---|---|---|---|---|---|---|---|
| US-4250319-A | RIPENER FOR SUGARCANE | W. R. GRACE & CO. (US) | 1981-02-10 | — | — | US | claimed |