Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 6/20 | 0.37 |
| ▸ | MAOB | P27338 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 4/20 | 0.34 |
| ▸ | CA2 | P00918 | 2/20 | 0.34 |
| ▸ | CA7 | P43166 | 2/20 | 0.34 |
| ▸ | CA9 | Q16790 | 2/20 | 0.34 |
| ▸ | CTSB | P07858 | 2/20 | 0.34 |
| ▸ | CTSS | P25774 | 2/20 | 0.34 |
| ▸ | CTSL | P07711 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | BACE1 | P56817 | 1/20 | 0.33 |
| ▸ | BACE2 | Q9Y5Z0 | 1/20 | 0.33 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.32 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL23901101 | 0.81 | TACR1 (0.39) | TACR1CA1CA2CA7CA9 | |
| SCHEMBL23901224 | 0.81 | PTGDR2 (0.34) | — | |
| SCHEMBL31391641 | 0.81 | PTGDR2 (0.34) | — | |
| SCHEMBL23901317 | 0.77 | PTGDR2 (0.37) | — | |
| SCHEMBL23901319 | 0.76 | ADRB2 (0.40) | — | |
| SCHEMBL31391663 | 0.70 | TACR1 (0.39) | TACR1CA1CA2CA7CA9 | |
| SCHEMBL23901095 | 0.70 | JAK2 (0.41) | TACR1 | |
| SCHEMBL4753464 | 0.69 | MAOB (0.74) | MAOB | |
| SCHEMBL22469496 | 0.69 | TSHR (0.47) | MAOBCTSBCTSLTSHRBACE1 | |
| SCHEMBL3511297 | 0.68 | ADRB2 (0.37) | TSHR |
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 |
|---|---|---|---|---|---|---|---|
| CN-115916771-A | Multi-target antitumor compound and preparation method and application thereof | 浙江华海药业股份有限公司 | 2023-04-04 | — | — | CN | disclosed |