Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FFAR1 | O14842 | 1/20 | 0.66 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.66 |
| ▸ | HTR1A | P08908 | 1/20 | 0.56 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.56 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.56 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.56 |
| ▸ | SMPD1 | P17405 | 1/20 | 0.56 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.56 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.56 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.56 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.55 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.54 |
| ▸ | LMNA | P02545 | 3/20 | 0.54 |
| ▸ | HTT | P42858 | 3/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.54 |
| ▸ | NPY1R | P25929 | 1/20 | 0.54 |
| ▸ | NPY2R | P49146 | 1/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.54 |
| ▸ | APP | P05067 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL4228617 | 1.00 | FFAR1 (0.66) | FFAR1FFAR4HTR1AADRA1DADRA1A | |
| SCHEMBL21667956 | 0.93 | FFAR1 (0.58) | FFAR1FFAR4HTR1AADRA1DADRA1A | |
| SCHEMBL23582260 | 0.85 | HTR1A (0.59) | FFAR1FFAR4HTR1AADRA1DADRA1A | |
| SCHEMBL29914010 | 0.85 | HTR1A (0.59) | FFAR1FFAR4HTR1AADRA1DADRA1A | |
| SCHEMBL791853 | 0.84 | HTR1A (0.74) | HTR1AADRA1DADRA1AADRA1BABCB1 | |
| SCHEMBL30416387 | 0.84 | HTR1A (0.74) | HTR1AADRA1DADRA1AADRA1BABCB1 | |
| SCHEMBL30712396 | 0.83 | FFAR1 (0.48) | FFAR1FFAR4HTR1AADRA1DADRA1A | |
| Ammonia Solution, Strong SCHEMBL2063054 | 0.82 | HTR1A (0.72) | HTR1AADRA1DADRA1AADRA1BABCB1 | |
| SCHEMBL13791570 | 0.81 | MAOB (0.62) | HTR1AADRA1DADRA1AADRA1BSMPD1 | |
| SCHEMBL827943 | 0.81 | SMPD1 (0.57) | HTR1AADRA1DADRA1AADRA1BSMPD1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-115232144-B | Nitrogen-containing condensed ring derivative, pharmaceutical composition, and preparation method and application thereof | 长春金赛药业有限责任公司 | 2024-04-02 | — | — | CN | disclosed |
| CN-115232144-A | Nitrogen-containing fused ring derivative, pharmaceutical composition, preparation method and application thereof | 长春金赛药业有限责任公司 | 2022-10-25 | — | — | CN | disclosed |