Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP13 | P45452 | 3/20 | 0.55 |
| ▸ | PKM | P14618 | 4/20 | 0.53 |
| ▸ | GAA | P10253 | 3/20 | 0.50 |
| ▸ | MMP1 | P03956 | 2/20 | 0.49 |
| ▸ | MMP8 | P22894 | 2/20 | 0.49 |
| ▸ | NPC1 | O15118 | 1/20 | 0.49 |
| ▸ | PKLR | P30613 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | MMP2 | P08253 | 2/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | MMP9 | P14780 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | HTR2A | P28223 | 1/20 | 0.44 |
| ▸ | HTR2C | P28335 | 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 | |
|---|---|---|---|---|
| SCHEMBL1188309 | 0.81 | MMP13 (0.73) | MMP13PKMGAAMMP1MMP8 | |
| SCHEMBL24837459 | 0.81 | MMP14 (0.47) | MMP13MMP1MMP8NPC1RAB9A | |
| SCHEMBL24008845 | 0.79 | GAA (0.48) | MMP13PKMGAAMMP1MMP8 | |
| SCHEMBL486801 | 0.76 | HTR6 (0.46) | GAARAB9ASMN1; SMN2MAPTCA1 | |
| SCHEMBL8438391 | 0.74 | MMP13 (0.74) | MMP13PKMGAAMMP1MMP8 | |
| SCHEMBL24129786 | 0.74 | CA2 (0.50) | GAAMAPTCA2LMNAALDH1A1 | |
| SCHEMBL486987 | 0.74 | PKM (0.64) | MMP13PKMGAAMMP1MMP8 | |
| SCHEMBL17374627 | 0.74 | MMP13 (0.63) | MMP13PKMMMP1MMP8NPC1 | |
| SCHEMBL13043174 | 0.74 | MMP13 (0.63) | MMP13PKMGAAMMP1MMP8 | |
| SCHEMBL23624923 | 0.74 | MAPT (0.47) | MMP13PKMGAAMMP1MMP8 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021225969-A1 | IMINO SULFANONE INHIBITORS OF ENPP1 | VOLASTRA THERAPEUTICS, INC. (US) | 2021-11-11 | — | — | WO | disclosed |