Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNMA1 | Q12791 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.47 |
| ▸ | TSHR | P16473 | 2/20 | 0.47 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | SLC9A1 | P19634 | 2/20 | 0.42 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | RECQL | P46063 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 2/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | MGAM | O43451 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL16856689 | 0.85 | KCNMA1 (0.48) | KCNMA1SMN1; SMN2TSHRRAB9AALDH1A1 | |
| SCHEMBL13772814 | 0.78 | KCNMA1 (0.57) | KCNMA1SMN1; SMN2TSHRRAB9AALDH1A1 | |
| SCHEMBL24743260 | 0.78 | RAB9A (0.57) | KCNMA1SMN1; SMN2TSHRRAB9AALDH1A1 | |
| SCHEMBL29845601 | 0.76 | KCNMA1 (0.67) | KCNMA1SMN1; SMN2TSHRRAB9AALDH1A1 | |
| SCHEMBL25874452 | 0.76 | KCNMA1 (0.50) | KCNMA1SMN1; SMN2TSHRRAB9AALDH1A1 | |
| SCHEMBL24222175 | 0.76 | KCNMA1 (0.50) | KCNMA1SMN1; SMN2TSHRRAB9AALDH1A1 | |
| SCHEMBL890612 | 0.76 | KCNMA1 (0.67) | KCNMA1SMN1; SMN2TSHRRAB9AALDH1A1 | |
| SCHEMBL25873809 | 0.76 | KCNMA1 (0.50) | KCNMA1SMN1; SMN2TSHRRAB9AALDH1A1 | |
| SCHEMBL20156597 | 0.75 | RAB9A (0.61) | KCNMA1SMN1; SMN2TSHRRAB9AALDH1A1 | |
| SCHEMBL24060749 | 0.75 | KCNMA1 (0.53) | KCNMA1SMN1; SMN2TSHRRAB9AALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-4400497-A1 | 3CLPRO PROTEASE INHIBITOR | Shanghai Qilu Pharmaceutical Research and Development Centre Ltd. (CN) | 2024-07-17 | — | — | EP | disclosed |