Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACACB | O00763 | 12/20 | 0.50 |
| ▸ | ACACA | Q13085 | 9/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | WDR5 | P61964 | 6/20 | 0.47 |
| ▸ | IRAK1 | P51617 | 1/20 | 0.46 |
| ▸ | CKS1B | P61024 | 1/20 | 0.45 |
| ▸ | SKP1 | P63208 | 1/20 | 0.45 |
| ▸ | SKP2 | Q13309 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL8866508 | 0.90 | ACACB (0.56) | ACACBACACACYP1A2CYP3A4CYP2C9 | |
| SCHEMBL8866814 | 0.88 | ACACB (0.49) | ACACBACACACYP1A2CYP3A4CYP2C9 | |
| SCHEMBL8866813 | 0.86 | ACACB (0.51) | ACACBACACACYP1A2CYP3A4CYP2C9 | |
| SCHEMBL8866482 | 0.84 | ACACB (0.47) | ACACBACACAIRAK1CKS1BSKP1 | |
| SCHEMBL4589317 | 0.81 | ACACB (0.46) | ACACBACACAIRAK1CKS1BSKP1 | |
| SCHEMBL8867046 | 0.79 | ACACB (0.45) | ACACBACACAWDR5IRAK1 | |
| SCHEMBL8866425 | 0.78 | ACACB (0.42) | ACACBACACAIRAK1CKS1BSKP1 | |
| SCHEMBL8867025 | 0.78 | WDR5 (0.44) | WDR5 | |
| SCHEMBL9233943 | 0.77 | ACACB (0.41) | ACACBACACAIRAK1CKS1BSKP1 | |
| SCHEMBL8866085 | 0.76 | ACACB (0.54) | ACACBACACAIRAK1CKS1BSKP1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5614531-A | Adhesion receptor antagonists | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1997-03-25 | — | — | US | disclosed |
| EP-0668278-A1 | Adhesion receptor antagonists | MERCK PATENT GmbH (DE) | 1995-08-23 | — | — | EP | disclosed |