Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 1/20 | 0.43 |
| ▸ | HTR2C | P28335 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 4/20 | 0.42 |
| ▸ | CA2 | P00918 | 4/20 | 0.42 |
| ▸ | CA7 | P43166 | 3/20 | 0.42 |
| ▸ | CA9 | Q16790 | 3/20 | 0.42 |
| ▸ | CA12 | O43570 | 2/20 | 0.42 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.42 |
| ▸ | CA4 | P22748 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 5/20 | 0.39 |
| ▸ | HPGD | P15428 | 4/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 4/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL6550705 | 1.00 | HTR2A (0.43) | HTR2AHTR2CCA1CA2CA7 | |
| SCHEMBL7802337 | 0.87 | CA1 (0.50) | HTR2AHTR2CCA1CA2CA7 | |
| SCHEMBL23499986 | 0.85 | CA1 (0.44) | HTR2AHTR2CCA1CA2CA7 | |
| SCHEMBL8342978 | 0.83 | HTR2A (0.43) | HTR2AHTR2CCA1CA2CA7 | |
| SCHEMBL27797008 | 0.82 | HTR2A (0.42) | HTR2AHTR2CCA1CA2CA7 | |
| SCHEMBL14879898 | 0.82 | MAPT (0.42) | HTR2AHTR2CCA1CA2CA7 | |
| SCHEMBL21768194 | 0.82 | HTR2A (0.42) | HTR2AHTR2CCA1CA2CA7 | |
| SCHEMBL2061829 | 0.81 | NQO2 (0.39) | HTR2AHTR2CCA2SMN1; SMN2MAPT | |
| SCHEMBL19412338 | 0.80 | ALDH1A1 (0.42) | SMN1; SMN2MAPTHPGDL3MBTL1CYP1A2 | |
| SCHEMBL695730 | 0.79 | CA1 (0.42) | HTR2AHTR2CCA1CA2CA7 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-119212994-A | Pyrazolopyrazine compounds as SHP2 inhibitors | 建新公司 | 2024-12-27 | — | — | CN | disclosed |
| CN-115605466-B | Substituted oxoisoindoline compounds for the treatment of cancer | 百时美施贵宝公司 | 2024-11-01 | — | — | CN | disclosed |
| EP-4448526-A1 | PYRAZOLOPYRAZINE COMPOUNDS AS SHP2 INHIBITORS | GENZYME CORPORATION (US) | 2024-10-23 | — | — | EP | disclosed |
| CN-118359642-A | Spiro aromatic ring compound and application thereof | 上海奕拓医药科技有限责任公司 | 2024-07-19 | — | — | CN | disclosed |
| CN-111566104-B | Spiro aromatic ring compound and application thereof | 上海奕拓医药科技有限责任公司 | 2024-05-17 | — | — | CN | disclosed |
| CN-117143079-A | Spiro aromatic ring compound and application thereof | 上海奕拓医药科技有限责任公司 | 2023-12-01 | — | — | CN | disclosed |
| CN-111138412-B | Spiro aromatic ring compound and application thereof | 上海奕拓医药科技有限责任公司 | 2023-09-15 | — | — | CN | disclosed |
| WO-2023114954-A1 | PYRAZOLOPYRAZINE COMPOUNDS AS SHP2 INHIBITORS | GENZYME CORPORATION (US) | 2023-06-22 | — | — | WO | disclosed |
| CN-115605466-A | Substituted oxoisoindoline compounds for the treatment of cancer | 百时美施贵宝公司（US） | 2023-01-13 | — | — | CN | disclosed |