Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | VCAM1 | P19320 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 5/20 | 0.33 |
| ▸ | HTT | P42858 | 3/20 | 0.33 |
| ▸ | LMNA | P02545 | 3/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 3/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | XBP1 | P17861 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | CCR6 | P51684 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | GRIA1 | P42261 | 2/20 | 0.33 |
| ▸ | GRIA2 | P42262 | 2/20 | 0.33 |
| ▸ | GRIA3 | P42263 | 2/20 | 0.33 |
| ▸ | GRIA4 | P48058 | 2/20 | 0.33 |
| ▸ | GRM6 | O15303 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL28586926 | 0.80 | CYP2D6 (0.33) | ALDH1A1F11KLKB1 | |
| SCHEMBL22031671 | 0.80 | VCAM1 (0.38) | VCAM1MAPTHTTLMNAALDH1A1 | |
| Carbamic Acid SCHEMBL30798679 | 0.79 | VCAM1 (0.34) | VCAM1MAPTHTTLMNAALDH1A1 | |
| SCHEMBL28616385 | 0.78 | NOS2 (0.37) | KMT2AF11KLKB1 | |
| Carbamic Acid SCHEMBL28603825 | 0.73 | VCAM1 (0.47) | VCAM1MAPTHTTLMNAALDH1A1 | |
| SCHEMBL19554332 | 0.72 | VCAM1 (0.50) | VCAM1MAPTHTTLMNAALDH1A1 | |
| SCHEMBL29158320 | 0.70 | VCAM1 (0.53) | VCAM1MAPTHTTLMNAALDH1A1 | |
| SCHEMBL30661876 | 0.69 | ALDH1A1 (0.50) | MAPTHTTLMNAALDH1A1GAA | |
| SCHEMBL2042498 | 0.69 | ALDH1A1 (0.50) | MAPTHTTLMNAALDH1A1GAA | |
| SCHEMBL27842314 | 0.69 | VCAM1 (0.54) | VCAM1MAPTLMNAMEN1KMT2A |
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-113166156-B | Tyrosine kinase inhibitors, compositions and methods | 贝达药业股份有限公司 | 2024-02-27 | — | — | CN | disclosed |
| CN-113166156-A | Tyrosine kinase inhibitors, compositions and methods thereof | 贝达药业股份有限公司 | 2021-07-23 | — | — | CN | disclosed |