Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.54 |
| ▸ | CA1 | P00915 | 1/20 | 0.54 |
| ▸ | CA2 | P00918 | 1/20 | 0.54 |
| ▸ | CA9 | Q16790 | 1/20 | 0.54 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.54 |
| ▸ | CES2 | O00748 | 1/20 | 0.48 |
| ▸ | CES1 | P23141 | 1/20 | 0.48 |
| ▸ | MAOA | P21397 | 1/20 | 0.47 |
| ▸ | MAOB | P27338 | 1/20 | 0.47 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.47 |
| ▸ | NAMPT | P43490 | 1/20 | 0.46 |
| ▸ | KCNQ3 | O43525 | 4/20 | 0.44 |
| ▸ | KCNQ2 | O43526 | 4/20 | 0.44 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.44 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.44 |
| ▸ | TAS1R2 | Q8TE23 | 1/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.44 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.44 |
| ▸ | KCNQ5 | Q9NR82 | 1/20 | 0.43 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL22231515 | 1.00 | CA12 (0.54) | CA12CA1CA2CA9CA14 | |
| SCHEMBL22231457 | 0.87 | CA12 (0.51) | CA12CA1CA2CA9CA14 | |
| SCHEMBL26799630 | 0.87 | HDAC1 (0.61) | CA12CA1CA2CA9CA14 | |
| SCHEMBL22231390 | 0.86 | MAOA (0.50) | CA12CA1CA2CA9CA14 | |
| SCHEMBL18704364 | 0.86 | CA12 (0.50) | CA12CA1CA2CA9CA14 | |
| SCHEMBL2228826 | 0.85 | CES2 (0.50) | CES2CES1KCNQ3KCNQ2TAS1R3 | |
| SCHEMBL22231459 | 0.84 | HDAC3 (0.46) | CES2CES1MAOAMAOBKCNQ3 | |
| SCHEMBL921426 | 0.83 | CA12 (0.48) | CA12CA1CA2CA9CA14 | |
| SCHEMBL18704398 | 0.83 | KIF11 (0.48) | CA12CA1CA2CA9CA14 | |
| SCHEMBL30978666 | 0.83 | KIF11 (0.48) | CA12CA1CA2CA9CA14 |
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-119421874-A | Aromatic amide derivative and application thereof in antitumor drugs | 上海喆邺生物科技有限公司 | 2025-02-11 | — | — | CN | disclosed |