Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.33 |
| ▸ | HAO1 | Q9UJM8 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 3/20 | 0.32 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 2/20 | 0.32 |
| ▸ | RAB9A | P51151 | 2/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
| ▸ | NT5E | P21589 | 1/20 | 0.31 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.31 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.31 |
| ▸ | RELA | Q04206 | 1/20 | 0.31 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.31 |
| ▸ | KDM6B | O15054 | 1/20 | 0.31 |
| ▸ | KDM4A | O75164 | 1/20 | 0.31 |
| ▸ | KDM4D | Q6B0I6 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL29601423 | 0.85 | ALDH1A1 (0.36) | ALDH1A1TSHRMAPK8HAO1NPC1 | |
| SCHEMBL29601653 | 0.81 | NT5E (0.41) | ALDH1A1TSHRMAPK8ADORA3NT5E | |
| SCHEMBL29601243 | 0.76 | ADORA2B (0.34) | PAK1 | |
| SCHEMBL29601196 | 0.76 | HDAC1 (0.43) | POLB | |
| SCHEMBL22912742 | 0.75 | GAA (0.37) | — | |
| SCHEMBL29601330 | 0.68 | SQOR (0.35) | NPC1POLB | |
| SCHEMBL29601247 | 0.68 | SLC29A1 (0.39) | ALDH1A1TSHRMAPK8NPC1RAB9A | |
| SCHEMBL29601165 | 0.64 | TLR8 (0.40) | POLB | |
| SCHEMBL29601846 | 0.63 | L3MBTL1 (0.36) | ALDH1A1POLBLMNA | |
| SCHEMBL11365244 | 0.63 | ALDH1A1 (0.34) | ALDH1A1TSHRHAO1THRBNPC1 |
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 2 patents. 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 |
| EP-3997089-A1 | CYSTEINE BINDING COMPOSITIONS AND METHODS OF USE THEREOF | University Of Virginia Patent Foundation (US) | 2022-05-18 | — | — | EP | disclosed |