Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.43 |
| ▸ | HPGD | P15428 | 3/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | ELANE | P08246 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 2/20 | 0.41 |
| ▸ | PPME1 | Q9Y570 | 1/20 | 0.41 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL30250167 | 0.82 | AKR1C1 (0.47) | HTTHPGDNPC1RAB9AAKR1C1 | |
| SCHEMBL30877933 | 0.81 | AKR1C1 (0.46) | ALDH1A1HTTHPGDAKR1C1L3MBTL1 | |
| SCHEMBL30250378 | 0.80 | AKR1C1 (0.44) | HTTSMN1; SMN2HPGDAKR1C1HDAC4 | |
| SCHEMBL14379102 | 0.78 | OPRM1 (0.51) | ALDH1A1HTTSMN1; SMN2HPGDNPC1 | |
| Toluene SCHEMBL27692570 | 0.78 | ALDH1A1 (0.50) | ALDH1A1SMN1; SMN2HPGDNPC1RAB9A | |
| SCHEMBL9753437 | 0.77 | HTT (0.46) | ALDH1A1HTT | |
| SCHEMBL9753142 | 0.75 | HTT (0.44) | ALDH1A1HTTSMN1; SMN2NPC1RAB9A | |
| SCHEMBL9821044 | 0.75 | ESR1 (0.47) | ALDH1A1HTTSMN1; SMN2NPC1RAB9A | |
| SCHEMBL12722269 | 0.74 | KMT2A (0.48) | ALDH1A1HTTSMN1; SMN2HPGDMAPT | |
| SCHEMBL17566 | 0.74 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-110520413-B | Macrocyclic broad spectrum antibiotics | 阿奇克斯制药公司 | 2023-02-17 | — | — | CN | disclosed |