Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM5 | P41594 | 1/20 | 0.47 |
| ▸ | GRM1 | Q13255 | 1/20 | 0.47 |
| ▸ | CNR1 | P21554 | 1/20 | 0.45 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.44 |
| ▸ | IDO1 | P14902 | 1/20 | 0.43 |
| ▸ | ACVR2A | P27037 | 3/20 | 0.43 |
| ▸ | TGFBR2 | P37173 | 3/20 | 0.43 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.41 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.41 |
| ▸ | EPHB4 | P54760 | 1/20 | 0.40 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.40 |
| ▸ | CNR2 | P34972 | 1/20 | 0.40 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.39 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.39 |
| ▸ | LOX | P28300 | 1/20 | 0.39 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.39 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.39 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.39 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL21380856 | 1.00 | GRM5 (0.47) | GRM5GRM1CNR1DYRK1AIDO1 | |
| SCHEMBL1264943 | 0.79 | DYRK1A (0.45) | GRM5GRM1CNR1DYRK1AIDO1 | |
| SCHEMBL6501884 | 0.78 | RORC (0.46) | CNR1DYRK1AIDO1CNR2 | |
| SCHEMBL744054 | 0.77 | IDO1 (0.50) | CNR1DYRK1AIDO1ACVR2ATGFBR2 | |
| SCHEMBL15781390 | 0.76 | DYRK1A (0.45) | CNR1DYRK1AIDO1ACVR2ATGFBR2 | |
| SCHEMBL17376184 | 0.76 | ACVR2A (0.49) | DYRK1AIDO1ACVR2ATGFBR2TGFBR1 | |
| SCHEMBL6507917 | 0.76 | SCN9A (0.39) | GRM5CNR1DYRK1AIDO1CNR2 | |
| SCHEMBL30626327 | 0.75 | LOX (0.55) | CNR1DYRK1AIDO1ACVR2ATGFBR2 | |
| SCHEMBL16116782 | 0.75 | LOX (0.55) | CNR1DYRK1AIDO1ACVR2ATGFBR2 | |
| SCHEMBL15768855 | 0.75 | ACVR2A (0.49) | CNR1DYRK1AIDO1ACVR2ATGFBR2 |
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-112368272-B | SHP2 inhibitors and uses thereof | 苏州浦合医药科技有限公司 | 2023-04-21 | — | — | CN | disclosed |
| CN-114502165-A | SHP2 inhibitor and application thereof | 苏州浦合医药科技有限公司 | 2022-05-13 | — | — | CN | disclosed |