Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LIPE | Q05469 | 5/20 | 0.40 |
| ▸ | CXCR2 | P25025 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | CES1 | P23141 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 2/20 | 0.34 |
| ▸ | RAB9A | P51151 | 2/20 | 0.34 |
| ▸ | GMNN | O75496 | 1/20 | 0.34 |
| ▸ | USP2 | O75604 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | NFKB1 | P19838 | 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 | |
|---|---|---|---|---|
| SCHEMBL29573177 | 1.00 | LIPE (0.40) | LIPECXCR2CA1CA2CA9 | |
| SCHEMBL1135193 | 0.84 | ALDH1A1 (0.50) | CA1CA2CA9LMNACYP1A2 | |
| SCHEMBL16798730 | 0.81 | LIPE (0.40) | LIPECXCR2CA1CA2CA9 | |
| SCHEMBL19647565 | 0.81 | SNCA (0.32) | CA1CA2CA9ALDH1A1SNCA | |
| SCHEMBL16706961 | 0.81 | ERN1 (0.38) | CA1CA2CA9NPC1LMNA | |
| SCHEMBL19974340 | 0.80 | LIPE (0.36) | LIPELMNASMN1; SMN2 | |
| SCHEMBL15840020 | 0.80 | LIPE (0.39) | LIPECXCR2CA1CA2CA9 | |
| SCHEMBL1135188 | 0.80 | ERN1 (0.40) | LIPECA1CA2CA9LMNA | |
| SCHEMBL20191122 | 0.78 | CXCR2 (0.41) | LIPECXCR2CA1CA2CA9 | |
| SCHEMBL30376702 | 0.78 | CXCR2 (0.43) | LIPECXCR2CA1CA2CA9 |
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-2022040157-A1 | BORON CONTAINING COMPOUNDS AND THEIR USES | 5METIS, INC. (US) | 2022-02-24 | — | — | WO | disclosed |
| WO-2022040157-A1 | BORON CONTAINING COMPOUNDS AND THEIR USES | 5METIS, INC. (US) | 2022-02-24 | — | — | WO | disclosed |