Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 3/20 | 0.55 |
| ▸ | CPS1 | P31327 | 1/20 | 0.46 |
| ▸ | MGLL | Q99685 | 4/20 | 0.44 |
| ▸ | CNR2 | P34972 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.41 |
| ▸ | ACKR3 | P25106 | 1/20 | 0.41 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | CASP1 | P29466 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL717212 | 0.93 | KMT2A (0.49) | KMT2ACPS1MGLLCNR2L3MBTL1 | |
| Hydrochloric Acid SCHEMBL15566650 | 0.89 | KMT2A (0.46) | KMT2ACPS1MGLLCNR2MEN1 | |
| SCHEMBL10395236 | 0.84 | CPS1 (0.55) | KMT2ACPS1MGLLMEN1ALDH1A1 | |
| SCHEMBL6141006 | 0.81 | L3MBTL1 (0.61) | KMT2ACPS1L3MBTL1MEN1ALDH1A1 | |
| SCHEMBL6141378 | 0.81 | TSHR (0.57) | KMT2AL3MBTL1MEN1ALDH1A1CYP1A2 | |
| SCHEMBL21381592 | 0.81 | CPS1 (0.44) | KMT2ACPS1MGLLL3MBTL1MEN1 | |
| SCHEMBL2304821 | 0.80 | ALDH1A1 (0.51) | KMT2ACPS1MGLLL3MBTL1MEN1 | |
| SCHEMBL11262337 | 0.79 | ALDH1A1 (0.56) | KMT2AMGLLMEN1ALDH1A1 | |
| SCHEMBL9267287 | 0.79 | ABL1 (0.53) | KMT2AMGLLMEN1ALDH1A1CYP1A2 | |
| SCHEMBL13398 | 0.79 | CPS1 (0.46) | KMT2ACPS1MGLLL3MBTL1MEN1 |
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 3 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 |
| WO-2021057890-A1 | 2H-BENZOPYRAN DERIVATIVES AS CRAC INHIBITORS | 南京明德新药研发有限公司 | 2021-04-01 | — | — | WO | disclosed |