Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA2C | P18825 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | GRIN2B | Q13224 | 3/20 | 0.35 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.33 |
| ▸ | HRH1 | P35367 | 1/20 | 0.33 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.33 |
| ▸ | PPARA | Q07869 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| SCHEMBL29149893 | 1.00 | ADRA2C (0.36) | ADRA2CCYP1A2CYP2D6GRIN2BS1PR4 | |
| SCHEMBL29149840 | 0.88 | KCNH2 (0.40) | GRIN2BKCNH2KMT2AHPGDSMN1; SMN2 | |
| SCHEMBL29924274 | 0.88 | KCNH2 (0.40) | GRIN2BKCNH2KMT2AHPGDSMN1; SMN2 | |
| SCHEMBL29924223 | 0.87 | KMT2A (0.38) | CYP1A2KMT2ALMNAMAPT | |
| SCHEMBL29150120 | 0.87 | KMT2A (0.38) | CYP1A2KMT2ALMNAMAPT | |
| SCHEMBL29924357 | 0.78 | APLNR (0.34) | GRIN2BS1PR4KMT2AHPGDSMN1; SMN2 | |
| SCHEMBL29150016 | 0.78 | APLNR (0.34) | GRIN2BS1PR4KMT2AHPGDSMN1; SMN2 | |
| SCHEMBL24186460 | 0.74 | KCNH2 (0.40) | GRIN2BKCNH2KMT2AHPGDSMN1; SMN2 | |
| SCHEMBL29924532 | 0.73 | S1PR4 (0.43) | S1PR4KMT2AHPGDSMN1; SMN2ALDH1A1 | |
| SCHEMBL29924520 | 0.72 | ALDH1A1 (0.47) | KMT2AALDH1A1LMNAMAPTHTT |
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-117177970-A | Polycyclic derivative regulator, preparation method and application thereof | 上海翰森生物医药科技有限公司 | 2023-12-05 | — | — | CN | disclosed |
| WO-2022228490-A1 | POLYCYCLIC DERIVATIVE MODULATOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF | 上海翰森生物医药科技有限公司 | 2022-11-03 | — | — | WO | disclosed |