Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | COMT | P21964 | 1/20 | 0.41 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.36 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.36 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.36 |
| ▸ | ACVR1 | Q04771 | 1/20 | 0.36 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.33 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.33 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.33 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.33 |
| ▸ | BRD4 | O60885 | 1/20 | 0.32 |
| ▸ | BRD3 | Q15059 | 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 | |
|---|---|---|---|---|
| SCHEMBL27096402 | 0.90 | COMT (0.39) | COMTPDE3BPDE3APDE10AACVR1 | |
| SCHEMBL24260966 | 0.73 | COMT (0.42) | COMTPDE3BPDE3AHDAC4ALDH1A1 | |
| SCHEMBL15950989 | 0.71 | COMT (0.60) | COMTPDE10AALDH1A1MAPTCYP1A2 | |
| SCHEMBL15465534 | 0.68 | COMT (0.41) | COMTHDAC4ALDH1A1MAPTCYP1A2 | |
| SCHEMBL13935679 | 0.66 | BRD4 (0.41) | ACVR1BRD4 | |
| SCHEMBL27002559 | 0.65 | COMT (0.38) | COMTPDE3BPDE3APDE10AACVR1 | |
| SCHEMBL25415031 | 0.64 | PDE4A (0.37) | NPC1RAB9A | |
| SCHEMBL15464813 | 0.64 | HDAC4 (0.40) | COMTHDAC4ALDH1A1MAPTCYP1A2 | |
| SCHEMBL20588987 | 0.63 | COMT (0.40) | COMTPDE3BPDE3APDE10AACVR1 | |
| SCHEMBL18903231 | 0.63 | COMT (0.40) | COMTHDAC4ALDH1A1MAPTCYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-4549438-A1 | FIVE-MEMBERED AND SIX-MEMBERED NITROGEN-CONTAINING COMPOUND, AND INTERMEDIATE, PREPARATION METHOD AND USE THEREOF | Hangzhou Synrx Therapeutics Biomedical Technology Co., Ltd. (CN) | 2025-05-07 | — | — | EP | disclosed |
| CN-117304183-A | Five-membered and six-membered nitrogen-containing compound, intermediate thereof, preparation method and application | 杭州圣域生物医药科技有限公司 | 2023-12-29 | — | — | CN | disclosed |