Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CA7 | P43166 | 1/20 | 0.42 |
| ▸ | CTSK | P43235 | 8/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | CTSS | P25774 | 3/20 | 0.37 |
| ▸ | GLS | O94925 | 1/20 | 0.37 |
| ▸ | GLA | P06280 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.36 |
| ▸ | CTSL | P07711 | 1/20 | 0.35 |
| ▸ | CTSB | P07858 | 1/20 | 0.35 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.35 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.35 |
| ▸ | RELA | Q04206 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL15797149 | 1.00 | CA1 (0.42) | CA1CA2CA7CTSKCYP2D6 | |
| SCHEMBL30148499 | 1.00 | CA1 (0.42) | CA1CA2CA7CTSKCYP2D6 | |
| SCHEMBL7121352 | 0.84 | CTSK (0.48) | CA1CA2CA7CTSKCYP2D6 | |
| SCHEMBL7121346 | 0.84 | CTSK (0.48) | CA1CA2CA7CTSKCYP2D6 | |
| SCHEMBL31402214 | 0.84 | CTSK (0.48) | CA1CA2CA7CTSKCYP2D6 | |
| SCHEMBL9754187 | 0.80 | CTSK (0.52) | CA1CA2CA7CTSKCYP2D6 | |
| SCHEMBL7079069 | 0.80 | CTSK (0.39) | CA1CA2CA7CTSKCYP2D6 | |
| SCHEMBL6487635 | 0.80 | CTSK (0.39) | CA1CA2CA7CTSKCYP2D6 | |
| SCHEMBL6991042 | 0.80 | CTSK (0.39) | CA1CA2CA7CTSKCYP2D6 | |
| SCHEMBL7079066 | 0.80 | CTSK (0.39) | CA1CA2CA7CTSKCYP2D6 |
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-2024182447-A1 | COMPOUNDS AND METHODS FOR MODULATING RAS-PI3K | VIVIDION THERAPEUTICS, INC. (US) | 2024-09-06 | — | — | WO | disclosed |
| CN-108341752-B | Amine compound for inhibiting SSAO/VAP-1 and application thereof in medicine | 广东东阳光药业有限公司 | 2022-12-23 | — | — | CN | disclosed |