Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.47 |
| ▸ | MAPT | P10636 | 3/20 | 0.47 |
| ▸ | HPGD | P15428 | 3/20 | 0.47 |
| ▸ | GAA | P10253 | 2/20 | 0.47 |
| ▸ | THRB | P10828 | 2/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | RAB9A | P51151 | 2/20 | 0.45 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.45 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.45 |
| ▸ | SERPINE1 | P05121 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 2/20 | 0.43 |
| ▸ | GFER | P55789 | 1/20 | 0.43 |
| ▸ | PLEC | Q15149 | 1/20 | 0.43 |
| ▸ | DHODH | Q02127 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | CASP3 | P42574 | 1/20 | 0.43 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL21857505 | 0.83 | ACLY (0.61) | HDAC1HDAC3HDAC2SERPINE1DHODH | |
| SCHEMBL3098750 | 0.77 | ALDH1A1 (0.53) | KDM4EALDH1A1HSD17B10MAPTHPGD | |
| Hydrochloric Acid SCHEMBL6619824 | 0.76 | ALDH1A1 (0.51) | KDM4EALDH1A1HSD17B10MAPTHPGD | |
| Hydrochloric Acid SCHEMBL29064766 | 0.76 | ALDH1A1 (0.51) | KDM4EALDH1A1HSD17B10MAPTHPGD | |
| SCHEMBL31253065 | 0.73 | LTB4R (0.48) | ALDH1A1HPGD | |
| SCHEMBL31253047 | 0.73 | MAPT (0.51) | KDM4EALDH1A1MAPTHPGDGAA | |
| SCHEMBL12818464 | 0.73 | FABP3 (0.56) | HDAC1KDM4EALDH1A1HSD17B10MAPT | |
| SCHEMBL7051230 | 0.73 | PPARG (0.62) | HDAC1KDM4EALDH1A1HSD17B10MAPT | |
| SCHEMBL23725821 | 0.73 | RAB9A (0.55) | KDM4EALDH1A1HSD17B10MAPTHPGD | |
| SCHEMBL23086244 | 0.72 | IDH2 (0.50) | ALDH1A1MAPTLMNARAB9ANPC1 |
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-113396145-A | PFKFB3 inhibitors and uses thereof | 盖罗发现有限责任公司 | 2021-09-14 | — | — | CN | disclosed |