Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP2 | P08253 | 3/20 | 0.46 |
| ▸ | MMP9 | P14780 | 3/20 | 0.46 |
| ▸ | PFKFB3 | Q16875 | 1/20 | 0.46 |
| ▸ | PFKFB4 | Q16877 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | PRF1 | P14222 | 1/20 | 0.43 |
| ▸ | MMP1 | P03956 | 3/20 | 0.41 |
| ▸ | MMP13 | P45452 | 3/20 | 0.41 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.41 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.41 |
| ▸ | GHSR | Q92847 | 1/20 | 0.40 |
| ▸ | EDNRB | P24530 | 1/20 | 0.40 |
| ▸ | EDNRA | P25101 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 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 | |
|---|---|---|---|---|
| SCHEMBL21124780 | 0.86 | EDNRB (0.49) | MMP2MMP9PFKFB3ALDH1A1PRF1 | |
| SCHEMBL2087081 | 0.79 | PKM (0.40) | MMP2MMP9PRF1MMP1MMP13 | |
| SCHEMBL14569173 | 0.76 | PTGS2 (0.43) | MMP2MMP9PFKFB3PFKFB4MMP1 | |
| SCHEMBL11054324 | 0.76 | KMT2A (0.43) | ALDH1A1LMNAMAPTKMT2AKDM4E | |
| SCHEMBL21084036 | 0.76 | HPGD (0.44) | PRF1GHSRLMNAMAPTKMT2A | |
| SCHEMBL3557280 | 0.75 | P2RY14 (0.41) | PFKFB3PFKFB4PRF1MMP1MMP13 | |
| SCHEMBL13743183 | 0.75 | CA2 (0.56) | MMP2MMP9PFKFB3PFKFB4NPC1 | |
| SCHEMBL3254332 | 0.75 | MMP2 (0.42) | MMP2MMP9PFKFB3PFKFB4MMP1 | |
| SCHEMBL7549393 | 0.75 | MMP2 (0.42) | MMP2MMP9PFKFB3PFKFB4MMP1 | |
| SCHEMBL2880094 | 0.74 | HTT (0.39) | MMP2MMP9ALDH1A1PRF1MMP13 |
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-109715615-A | Biaryl methyl heterocycles | 蒙特利尔大学 | 2019-05-03 | — | — | CN | disclosed |