Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC29A1 | Q99808 | 4/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.33 |
| ▸ | NT5E | P21589 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL29601653 | 0.85 | NT5E (0.41) | SLC29A1CYP2C19ALDH1A1TSHRMAPK8 | |
| SCHEMBL29601423 | 0.81 | ALDH1A1 (0.36) | ALDH1A1TSHRNPC1POLBRAB9A | |
| SCHEMBL22912743 | 0.78 | SLC29A1 (0.43) | SLC29A1CYP2C19TSHRCYP1A2 | |
| SCHEMBL29601395 | 0.77 | HDAC1 (0.43) | SLC29A1 | |
| SCHEMBL29601167 | 0.68 | ALDH1A1 (0.36) | ALDH1A1TSHRNPC1POLBRAB9A | |
| SCHEMBL29601164 | 0.67 | HDAC1 (0.35) | ALDH1A1TSHRNPC1POLB | |
| SCHEMBL29601199 | 0.66 | ALDH1A1 (0.34) | CYP2C19ALDH1A1NPC1RAB9ACYP1A2 | |
| SCHEMBL17450126 | 0.65 | CDK1 (0.51) | ALDH1A1NPC1SMN1; SMN2CYP1A2 | |
| SCHEMBL22912673 | 0.64 | CYP2C19 (0.33) | SLC29A1CYP2C19 | |
| SCHEMBL3958765 | 0.64 | ADORA3 (0.43) | NPC1RAB9ASMN1; SMN2 |
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 |