Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PI4KA | P42356 | 3/20 | 0.48 |
| ▸ | PI4K2B | Q8TCG2 | 3/20 | 0.48 |
| ▸ | PI4K2A | Q9BTU6 | 3/20 | 0.48 |
| ▸ | PI4KB | Q9UBF8 | 3/20 | 0.48 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.48 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.46 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.46 |
| ▸ | CTSL | P07711 | 4/20 | 0.44 |
| ▸ | CTSS | P25774 | 1/20 | 0.44 |
| ▸ | CTSB | P07858 | 1/20 | 0.44 |
| ▸ | CHKA | P35790 | 1/20 | 0.43 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.42 |
| ▸ | CDK1 | P06493 | 2/20 | 0.42 |
| ▸ | GRIA1 | P42261 | 1/20 | 0.41 |
| ▸ | GRIA2 | P42262 | 1/20 | 0.41 |
| ▸ | GRIA3 | P42263 | 1/20 | 0.41 |
| ▸ | GRIA4 | P48058 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | AHCY | P23526 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL29602218 | 0.82 | YTHDC1 (0.49) | PI4KAPI4K2BPI4K2API4KBADORA2A | |
| SCHEMBL9885008 | 0.81 | YTHDC1 (0.57) | PI4KAPI4K2BPI4K2API4KBAHCY | |
| SCHEMBL8166306 | 0.81 | ADORA2A (0.61) | PI4KAPI4K2BPI4K2API4KBADORA2A | |
| SCHEMBL4477711 | 0.80 | PI4KA (0.43) | PI4KAPI4K2BPI4K2API4KBADORA2A | |
| SCHEMBL12143426 | 0.75 | ADORA2A (0.67) | PI4KAPI4K2BPI4K2API4KBADORA2A | |
| SCHEMBL12703951 | 0.72 | FLT3 (0.51) | — | |
| SCHEMBL17450127 | 0.70 | CDK1 (0.78) | ADORA2AADORA3ADORA1CTSLCDK1 | |
| SCHEMBL30584024 | 0.70 | ADORA2A (0.50) | PI4KAPI4K2BPI4K2API4KBADORA2A | |
| SCHEMBL786016 | 0.70 | ADORA2A (0.50) | PI4KAPI4K2BPI4K2API4KBADORA2A | |
| SCHEMBL2954550 | 0.70 | ADORA2A (0.66) | PI4KAPI4K2BPI4K2API4KBADORA2A |
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 |