Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 4/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.53 |
| ▸ | HPGD | P15428 | 2/20 | 0.53 |
| ▸ | HTT | P42858 | 1/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 7/20 | 0.52 |
| ▸ | RAB9A | P51151 | 7/20 | 0.52 |
| ▸ | MAPT | P10636 | 5/20 | 0.52 |
| ▸ | LMNA | P02545 | 3/20 | 0.52 |
| ▸ | KDR | P35968 | 1/20 | 0.49 |
| ▸ | JAK2 | O60674 | 1/20 | 0.48 |
| ▸ | JAK3 | P52333 | 1/20 | 0.48 |
| ▸ | NPC1 | O15118 | 6/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.46 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL30184311 | 0.86 | ALDH1A1 (0.59) | KMT2AALDH1A1HPGDSMN1; SMN2RAB9A | |
| SCHEMBL23728472 | 0.81 | ALDH1A1 (0.55) | KMT2AALDH1A1HPGDHTTSMN1; SMN2 | |
| SCHEMBL3565469 | 0.80 | HPGD (0.62) | KMT2AALDH1A1HPGDHTTSMN1; SMN2 | |
| SCHEMBL4477194 | 0.79 | PDE2A (0.57) | ALDH1A1HPGDSMN1; SMN2RAB9AMAPT | |
| SCHEMBL17781274 | 0.76 | KDM4E (0.57) | ALDH1A1HPGDHTTRAB9ANPC1 | |
| SCHEMBL19436759 | 0.75 | KDM4E (0.78) | KMT2AALDH1A1HPGDHTTSMN1; SMN2 | |
| SCHEMBL29929922 | 0.75 | KDM4E (0.78) | KMT2AALDH1A1HPGDHTTSMN1; SMN2 | |
| SCHEMBL3561448 | 0.75 | RAB9A (0.65) | KMT2AALDH1A1HPGDHTTSMN1; SMN2 | |
| SCHEMBL23728550 | 0.75 | ALDH1A1 (0.56) | KMT2AALDH1A1HPGDHTTSMN1; SMN2 | |
| SCHEMBL23728526 | 0.75 | ALDH1A1 (0.56) | KMT2AALDH1A1HPGDHTTSMN1; SMN2 |
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-113754682-B | Compound having macrocyclic structure and use thereof | 赛诺哈勃药业（成都）有限公司 | 2023-01-06 | — | — | CN | disclosed |