Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACACB | O00763 | 8/20 | 0.40 |
| ▸ | ACACA | Q13085 | 5/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | BRD4 | O60885 | 3/20 | 0.38 |
| ▸ | NAMPT | P43490 | 2/20 | 0.38 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.38 |
| ▸ | GLS | O94925 | 2/20 | 0.36 |
| ▸ | CKS1B | P61024 | 1/20 | 0.36 |
| ▸ | SKP1 | P63208 | 1/20 | 0.36 |
| ▸ | SKP2 | Q13309 | 1/20 | 0.36 |
| ▸ | CCKBR | P32239 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.34 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL21437212 | 0.91 | AVPR1B (0.37) | ACACBBRD4CREBBPROCK2 | |
| SCHEMBL21437980 | 0.84 | ACACB (0.43) | ACACBACACACYP1A2CYP3A4CYP2C9 | |
| SCHEMBL21455903 | 0.84 | BRD4 (0.41) | ACACBACACACYP1A2CYP3A4CYP2C9 | |
| SCHEMBL21455901 | 0.84 | MDM2 (0.45) | ACACBACACACYP1A2CYP3A4CYP2C9 | |
| SCHEMBL21438114 | 0.84 | ACACB (0.43) | ACACBACACACYP1A2CYP3A4CYP2C9 | |
| SCHEMBL21437626 | 0.83 | BRD4 (0.41) | ACACBACACACYP1A2CYP3A4CYP2C9 | |
| SCHEMBL21438660 | 0.79 | GLS (0.39) | ACACBACACACYP1A2CYP3A4CYP2C9 | |
| SCHEMBL21455908 | 0.77 | ACACB (0.39) | ACACBACACACYP1A2CYP3A4CYP2C9 | |
| SCHEMBL21437623 | 0.76 | NAMPT (0.40) | ACACBACACACYP1A2CYP3A4CYP2C9 | |
| SCHEMBL21437211 | 0.75 | MDM2 (0.42) | — |
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-3687506-A1 | SUBSTITUTED BENZOFURAN, BENZOPYRROLE, BENZOTHIOPHENE, AND STRUCTURALLY RELATED COMPLEMENT INHIBITORS | Biocryst Pharmaceuticals, Inc. (US) | 2020-08-05 | — | — | EP | disclosed |
| WO-2019195720-A1 | SUBSTITUTED BENZOFURAN, BENZOPYRROLE, BENZOTHIOPHENE, AND STRUCTURALLY RELATED COMPLEMENT INHIBITORS | BIOCRYST PHARMACEUTICALS, INC. (US) | 2019-10-10 | — | — | WO | disclosed |