Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TUBB1 | Q9H4B7 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 4/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | FPR2 | P25090 | 3/20 | 0.39 |
| ▸ | HPGD | P15428 | 3/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 1/20 | 0.39 |
| ▸ | HTR2C | P28335 | 1/20 | 0.39 |
| ▸ | HTR2B | P41595 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.36 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL21823585 | 1.00 | TUBB1 (0.44) | TUBB1MAPTKDM4EGAAFPR2 | |
| SCHEMBL2123778 | 0.89 | TUBB1 (0.40) | TUBB1MAPTKDM4EGAAHPGD | |
| SCHEMBL31096026 | 0.86 | SMN1; SMN2 (0.46) | TUBB1MAPTKDM4EGAAFPR2 | |
| SCHEMBL21823379 | 0.86 | SMN1; SMN2 (0.46) | TUBB1MAPTKDM4EGAAFPR2 | |
| SCHEMBL21823652 | 0.85 | MAPT (0.43) | TUBB1MAPTKDM4EGAAFPR2 | |
| SCHEMBL31096290 | 0.85 | MAPT (0.43) | TUBB1MAPTKDM4EGAAFPR2 | |
| SCHEMBL4574409 | 0.84 | TUBB1 (0.41) | TUBB1MAPTKDM4EHPGDLMNA | |
| SCHEMBL31096136 | 0.84 | TUBB1 (0.41) | TUBB1MAPTKDM4EHPGDLMNA | |
| SCHEMBL1243244 | 0.80 | HPGD (0.41) | MAPTKDM4EGAAHPGDLMNA | |
| SCHEMBL30189397 | 0.80 | HPGD (0.41) | MAPTKDM4EGAAHPGDLMNA |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113166177-B | Boron-containing PDE4 inhibitors | 辉瑞公司 | 2024-09-03 | — | — | CN | disclosed |