Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | MLYCD | O95822 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | MMP1 | P03956 | 1/20 | 0.39 |
| ▸ | MMP3 | P08254 | 1/20 | 0.39 |
| ▸ | MMP8 | P22894 | 1/20 | 0.39 |
| ▸ | DPP4 | P27487 | 2/20 | 0.39 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.39 |
| ▸ | DPP8 | Q6V1X1 | 1/20 | 0.39 |
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.38 |
| ▸ | KCNJ1 | P48048 | 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 | |
|---|---|---|---|---|
| SCHEMBL78979 | 0.85 | — | — | |
| Oxalic Acid SCHEMBL31346826 | 0.83 | SMN1; SMN2 (0.48) | SMN1; SMN2CA12CA1CA9MEN1 | |
| SCHEMBL27988207 | 0.83 | CA12 (0.52) | SMN1; SMN2CA12CA1CA9MEN1 | |
| Hydrochloric Acid SCHEMBL1669235 | 0.83 | CA12 (0.52) | SMN1; SMN2CA12CA1CA9MEN1 | |
| Trifluoroacetic Acid SCHEMBL21410151 | 0.81 | MLYCD (0.36) | ALDH1A1MLYCDDPP4DPP7DPP8 | |
| Trifluoroacetic Acid SCHEMBL30657126 | 0.81 | MLYCD (0.36) | ALDH1A1MLYCDDPP4DPP7DPP8 | |
| Trifluoroacetic Acid SCHEMBL4524939 | 0.79 | ALDH1A1 (0.41) | ALDH1A1MEN1KMT2AMLYCDMMP1 | |
| Glycine SCHEMBL8830885 | 0.78 | KDM4E (0.45) | SMN1; SMN2CA12CA1CA9MEN1 | |
| SCHEMBL15413810 | 0.77 | SMN1; SMN2 (0.44) | ALDH1A1SMN1; SMN2CA12CA1CA9 | |
| Formic Acid SCHEMBL30516049 | 0.77 | SMN1; SMN2 (0.46) | SMN1; SMN2CA12CA1CA9MEN1 |
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-114786673-A | CDK inhibitors and their use as medicaments | 普莱鲁德疗法有限公司 | 2022-07-22 | — | — | CN | disclosed |