Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACACB | O00763 | 9/20 | 0.40 |
| ▸ | IKBKB | O14920 | 1/20 | 0.37 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.37 |
| ▸ | HCRTR1 | O43613 | 4/20 | 0.36 |
| ▸ | HCRTR2 | O43614 | 4/20 | 0.36 |
| ▸ | ACACA | Q13085 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL24347487 | 0.87 | KCNB1 (0.36) | ACACBADRB1HCRTR1HCRTR2 | |
| SCHEMBL29676316 | 0.85 | ACACB (0.53) | ACACBADRB1 | |
| SCHEMBL23666724 | 0.78 | RAB9A (0.43) | ACACBIKBKBACACA | |
| SCHEMBL14868372 | 0.77 | ADRB1 (0.41) | ADRB1HCRTR1HCRTR2 | |
| SCHEMBL29675906 | 0.76 | ACACB (0.47) | ACACBIKBKBACACA | |
| SCHEMBL2784760 | 0.76 | STAT3 (0.40) | ACACBIKBKBACACA | |
| SCHEMBL29799828 | 0.75 | SYK (0.36) | ADRB1HCRTR1HCRTR2 | |
| SCHEMBL12344319 | 0.75 | IKBKB (0.38) | ACACBIKBKBACACA | |
| SCHEMBL31592656 | 0.74 | ROCK2 (0.53) | ACACBACACA | |
| SCHEMBL29676186 | 0.74 | ACACB (0.48) | ACACBIKBKBACACA |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021146631-A1 | HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS | NUVATION BIO INC. (US) | 2021-07-22 | — | — | WO | disclosed |
| WO-2020150677-A1 | HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS | NUVATION BIO INC. (US) | 2020-07-23 | — | — | WO | disclosed |