Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACACB | O00763 | 16/20 | 0.36 |
| ▸ | MBOAT4 | Q96T53 | 2/20 | 0.34 |
| ▸ | PI4KA | P42356 | 1/20 | 0.34 |
| ▸ | PI4K2B | Q8TCG2 | 1/20 | 0.34 |
| ▸ | PI4K2A | Q9BTU6 | 1/20 | 0.34 |
| ▸ | PI4KB | Q9UBF8 | 1/20 | 0.34 |
| ▸ | NUDT1 | P36639 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL20000527 | 0.85 | MAP3K7 (0.40) | ACACBMBOAT4PI4KAPI4K2BPI4K2A | |
| SCHEMBL38661744 | 0.74 | PDPK1 (0.37) | PI4KAPI4K2BPI4K2API4KB | |
| SCHEMBL16190524 | 0.73 | ACACB (0.49) | ACACB | |
| SCHEMBL15741407 | 0.67 | — | — | |
| SCHEMBL16822073 | 0.67 | CYP2C9 (0.38) | MBOAT4NUDT1 | |
| SCHEMBL19004852 | 0.67 | CA2 (0.44) | MBOAT4NUDT1 | |
| SCHEMBL18809713 | 0.66 | — | — | |
| SCHEMBL24714020 | 0.66 | PI4KA (0.36) | PI4KAPI4K2BPI4K2API4KB | |
| SCHEMBL10569355 | 0.66 | ALDH1A1 (0.45) | MBOAT4NUDT1 | |
| SCHEMBL1440438 | 0.65 | CA2 (0.40) | PI4KAPI4K2BPI4K2API4KB |
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-2997024-B1 | PYRROLIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF | BOEHRINGER INGELHEIM INT (DE) | 2018-03-28 | — | — | EP | disclosed |