Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH3A1 | P30838 | 4/20 | 0.47 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.37 |
| ▸ | NOD1 | Q9Y239 | 1/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.36 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.36 |
| ▸ | MMP2 | P08253 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.34 |
| ▸ | OXTR | P30559 | 1/20 | 0.34 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.33 |
| ▸ | HTR6 | P50406 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL29601293 | 0.83 | ALDH1A1 (0.48) | NOD1PTGS2PTGS1MMP2PKM | |
| SCHEMBL29601383 | 0.78 | P2RX7 (0.61) | ALDH3A1P2RX7NOD1PTGS2PTGS1 | |
| SCHEMBL29601397 | 0.71 | P2RX7 (0.35) | P2RX7 | |
| SCHEMBL29601170 | 0.69 | ALDH1A1 (0.35) | P2RX7ALDH1A1 | |
| SCHEMBL29601519 | 0.67 | CA1 (0.37) | P2RX7PKMALDH1A1 | |
| SCHEMBL29601705 | 0.67 | HTT (0.47) | P2RX7PKMALDH1A1KDM4E | |
| SCHEMBL29601285 | 0.66 | ALDH1A1 (0.43) | P2RX7ALDH1A1KDM4E | |
| SCHEMBL19204899 | 0.65 | P2RX7 (0.61) | ALDH3A1P2RX7NOD1PTGS2PKM | |
| SCHEMBL2241322 | 0.63 | L3MBTL1 (0.46) | ALDH3A1NOD1PKMALDH1A1HTR6 | |
| SCHEMBL24476718 | 0.62 | CDK1 (0.30) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3997089-A1 | CYSTEINE BINDING COMPOSITIONS AND METHODS OF USE THEREOF | University Of Virginia Patent Foundation (US) | 2022-05-18 | — | — | EP | claimed |