Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.62 |
| ▸ | CA2 | P00918 | 2/20 | 0.62 |
| ▸ | CA7 | P43166 | 2/20 | 0.62 |
| ▸ | CA9 | Q16790 | 2/20 | 0.62 |
| ▸ | HPGD | P15428 | 1/20 | 0.59 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.58 |
| ▸ | MEN1 | O00255 | 3/20 | 0.58 |
| ▸ | HTR1A | P08908 | 1/20 | 0.58 |
| ▸ | HTR7 | P34969 | 1/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.55 |
| ▸ | TSHR | P16473 | 1/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.55 |
| ▸ | TP53 | P04637 | 2/20 | 0.50 |
| ▸ | FPR3 | P25089 | 1/20 | 0.50 |
| ▸ | FPR2 | P25090 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL12993899 | 0.96 | KMT2A (0.64) | CA1CA2CA7CA9HPGD | |
| SCHEMBL14679396 | 0.87 | CA1 (0.58) | CA1CA2CA7CA9HPGD | |
| SCHEMBL23898772 | 0.85 | LMNA (0.62) | CA1CA2CA7CA9HPGD | |
| SCHEMBL23898657 | 0.85 | HTR1A (0.78) | CA1CA2CA7CA9HPGD | |
| SCHEMBL8375221 | 0.84 | HTR1A (0.57) | CA1CA2CA7CA9KMT2A | |
| SCHEMBL13102979 | 0.83 | HPGD (0.71) | CA1CA2CA7CA9HPGD | |
| SCHEMBL14679142 | 0.82 | HPGD (0.69) | CA1CA2CA7CA9HPGD | |
| SCHEMBL7844536 | 0.81 | SIGMAR1 (0.55) | CA1CA2CA7CA9KMT2A | |
| SCHEMBL14679150 | 0.80 | TERT (0.59) | KMT2AMEN1HTR1AHTR7TSHR | |
| SCHEMBL14679139 | 0.78 | KMT2A (0.67) | CA1CA2CA7CA9HPGD |
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-2021202781-A1 | N-HETEROARYLALKYL-2-(HETEROCYCLYL AND HETEROCYCLYLMETHYL) ACETAMIDE DERIVATIVES AS SSTR4 AGONISTS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2021-10-07 | — | — | WO | disclosed |