Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.56 |
| ▸ | HPGD | P15428 | 2/20 | 0.56 |
| ▸ | PFKFB3 | Q16875 | 4/20 | 0.53 |
| ▸ | FABP4 | P15090 | 7/20 | 0.51 |
| ▸ | FABP5 | Q01469 | 7/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | FABP3 | P05413 | 1/20 | 0.49 |
| ▸ | ACLY | P53396 | 2/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | USP2 | O75604 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL9997295 | 0.91 | PFKFB3 (0.60) | HSD17B10HPGDPFKFB3FABP4FABP5 | |
| SCHEMBL28657437 | 0.88 | PFKFB3 (0.59) | HSD17B10HPGDPFKFB3FABP4FABP5 | |
| SCHEMBL28652684 | 0.85 | FABP4 (0.59) | HSD17B10HPGDPFKFB3FABP4FABP5 | |
| SCHEMBL9997201 | 0.79 | PFKFB3 (0.66) | HSD17B10PFKFB3FABP4FABP5ALDH1A1 | |
| SCHEMBL28636849 | 0.79 | PFKFB3 (0.67) | HSD17B10HPGDPFKFB3FABP4FABP5 | |
| SCHEMBL9997026 | 0.78 | PFKFB3 (0.62) | HSD17B10HPGDPFKFB3ALDH1A1ACLY | |
| SCHEMBL9997323 | 0.78 | PFKFB3 (0.66) | HSD17B10HPGDPFKFB3ALDH1A1ACLY | |
| SCHEMBL28639755 | 0.78 | PFKFB3 (0.59) | HSD17B10HPGDPFKFB3FABP4FABP5 | |
| SCHEMBL28646113 | 0.77 | PFKFB3 (0.64) | HSD17B10HPGDPFKFB3FABP4FABP5 | |
| SCHEMBL9996967 | 0.77 | PFKFB3 (0.71) | HSD17B10HPGDPFKFB3ALDH1A1ACLY |
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 |