Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 4/20 | 0.53 |
| ▸ | CA1 | P00915 | 4/20 | 0.53 |
| ▸ | CA2 | P00918 | 4/20 | 0.53 |
| ▸ | CA7 | P43166 | 4/20 | 0.53 |
| ▸ | CA9 | Q16790 | 4/20 | 0.53 |
| ▸ | CA14 | Q9ULX7 | 4/20 | 0.53 |
| ▸ | NPC1 | O15118 | 3/20 | 0.47 |
| ▸ | MMP1 | P03956 | 1/20 | 0.40 |
| ▸ | MMP2 | P08253 | 1/20 | 0.40 |
| ▸ | MMP9 | P14780 | 1/20 | 0.40 |
| ▸ | MMP12 | P39900 | 1/20 | 0.40 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.39 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.38 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL820636 | 0.85 | NPC1 (0.50) | CA12CA1CA2CA7CA9 | |
| SCHEMBL8074147 | 0.79 | CA1 (0.48) | CA12CA1CA2CA7CA9 | |
| SCHEMBL29003949 | 0.77 | CA12 (0.59) | CA12CA1CA2CA7CA9 | |
| SCHEMBL29199121 | 0.76 | CA12 (0.58) | CA12CA1CA2CA7CA9 | |
| SCHEMBL7593464 | 0.76 | CA12 (0.58) | CA12CA1CA2CA7CA9 | |
| SCHEMBL29030417 | 0.76 | ALDH1A1 (0.40) | NPC1PDCD1CD274ALDH1A1KDM4E | |
| SCHEMBL21052524 | 0.75 | TSHR (0.56) | CA12CA1CA2CA7CA9 | |
| SCHEMBL1897705 | 0.74 | NPC1 (0.39) | CA12CA1CA2CA7CA9 | |
| SCHEMBL2222781 | 0.73 | NPC1 (0.51) | CA12CA1CA2CA7CA9 | |
| SCHEMBL137907 | 0.73 | NPC1 (0.62) | CA12CA1CA2CA7CA9 |
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 |