Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.63 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.63 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.63 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.56 |
| ▸ | MAPT | P10636 | 3/20 | 0.56 |
| ▸ | POLB | P06746 | 2/20 | 0.56 |
| ▸ | GLA | P06280 | 1/20 | 0.55 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.47 |
| ▸ | GFER | P55789 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL812920 | 0.93 | CYP1A2 (0.71) | CYP1A2MAPK1SMN1; SMN2ALDH1A1MAPT | |
| SCHEMBL94068 | 0.91 | CYP1A2 (0.75) | CYP1A2MAPK1SMN1; SMN2ALDH1A1MAPT | |
| SCHEMBL5313692 | 0.91 | CYP1A2 (0.75) | CYP1A2MAPK1SMN1; SMN2ALDH1A1MAPT | |
| Hydrochloric Acid SCHEMBL1720619 | 0.91 | CYP1A2 (0.68) | CYP1A2MAPK1SMN1; SMN2ALDH1A1MAPT | |
| SCHEMBL10939618 | 0.91 | CYP1A2 (0.75) | CYP1A2MAPK1SMN1; SMN2ALDH1A1MAPT | |
| Hydrochloric Acid SCHEMBL1128098 | 0.88 | CYP1A2 (0.72) | CYP1A2MAPK1SMN1; SMN2ALDH1A1MAPT | |
| SCHEMBL8202520 | 0.88 | CYP1A2 (0.72) | CYP1A2MAPK1SMN1; SMN2ALDH1A1MAPT | |
| SCHEMBL3402164 | 0.88 | — | — | |
| Ethylene SCHEMBL27789472 | 0.86 | CYP1A2 (0.69) | CYP1A2MAPK1SMN1; SMN2ALDH1A1MAPT | |
| Hydrochloric Acid SCHEMBL23886232 | 0.86 | GLA (0.65) | CYP1A2MAPK1SMN1; SMN2ALDH1A1MAPT |
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-105916854-B | protein kinase inhibitors | GB005股份有限公司 | 2019-05-21 | — | — | CN | disclosed |