Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 7/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.53 |
| ▸ | HPGD | P15428 | 3/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.53 |
| ▸ | CNR1 | P21554 | 4/20 | 0.50 |
| ▸ | CNR2 | P34972 | 3/20 | 0.50 |
| ▸ | NPC1 | O15118 | 5/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.47 |
| ▸ | MEN1 | O00255 | 4/20 | 0.47 |
| ▸ | KDR | P35968 | 1/20 | 0.46 |
| ▸ | TEK | Q02763 | 1/20 | 0.46 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.46 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | CRHBP | P24387 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL28873061 | 0.84 | ABCG2 (0.47) | ALDH1A1HPGDKDM4EHSD17B10KMT2A | |
| SCHEMBL30081078 | 0.84 | ABCG2 (0.47) | ALDH1A1HPGDKDM4EHSD17B10KMT2A | |
| SCHEMBL19934782 | 0.82 | ALDH1A1 (0.51) | RAB9AALDH1A1HPGDKDM4EHSD17B10 | |
| SCHEMBL28873090 | 0.82 | SMN1; SMN2 (0.47) | RAB9AALDH1A1HPGDKDM4EHSD17B10 | |
| SCHEMBL30022955 | 0.81 | KDM4E (0.50) | RAB9AALDH1A1HPGDKDM4EHSD17B10 | |
| SCHEMBL28654875 | 0.81 | KDM4E (0.50) | RAB9AALDH1A1HPGDKDM4EHSD17B10 | |
| SCHEMBL28873053 | 0.80 | MAOB (0.50) | RAB9AALDH1A1HPGDKDM4EHSD17B10 | |
| SCHEMBL28873067 | 0.78 | NPC1 (0.45) | RAB9AALDH1A1HPGDCNR1CNR2 | |
| SCHEMBL28937081 | 0.78 | KMT2A (0.52) | RAB9AALDH1A1HPGDKDM4EHSD17B10 | |
| SCHEMBL28873074 | 0.78 | MAOB (0.50) | RAB9AALDH1A1HPGDHSD17B10CNR1 |
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-109721579-B | 7, 8-dehydrograpevine derivatives, preparation method, pharmaceutical composition and use thereof | 中国医学科学院药物研究所 | 2022-11-04 | — | — | CN | disclosed |