Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACACB | O00763 | 5/20 | 0.49 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.47 |
| ▸ | BACE1 | P56817 | 2/20 | 0.47 |
| ▸ | P2RX7 | Q99572 | 8/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | SYK | P43405 | 1/20 | 0.45 |
| ▸ | TACR1 | P25103 | 1/20 | 0.45 |
| ▸ | YAP1 | P46937 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL15048243 | 1.00 | ACACB (0.49) | ACACBUSP30BACE1P2RX7CYP3A4 | |
| SCHEMBL16214228 | 0.93 | ACACB (0.54) | ACACBUSP30BACE1P2RX7YAP1 | |
| SCHEMBL18459339 | 0.87 | YAP1 (0.48) | BACE1P2RX7CYP3A4TSHRYAP1 | |
| SCHEMBL18459337 | 0.87 | YAP1 (0.48) | BACE1P2RX7CYP3A4TSHRYAP1 | |
| SCHEMBL15083952 | 0.87 | CCR1 (0.48) | BACE1P2RX7CYP3A4TSHRSYK | |
| SCHEMBL16187531 | 0.85 | ACACB (0.54) | ACACBUSP30 | |
| SCHEMBL18176134 | 0.85 | ACACB (0.54) | ACACBUSP30 | |
| SCHEMBL15901017 | 0.83 | ACACB (0.59) | ACACBCYP3A4TSHR | |
| SCHEMBL15048018 | 0.82 | ACACB (0.63) | ACACB | |
| SCHEMBL15048067 | 0.82 | ACACB (0.63) | ACACB |
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 |
|---|---|---|---|---|---|---|---|
| WO-2013092616-A1 | NEW AZIRIDINE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND THEIR USE AS ACETYL-COA CARBOXYLASE INHIBITORS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2013-06-27 | — | — | WO | disclosed |