Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | HCRTR1 | O43613 | 5/20 | 0.46 |
| ▸ | HCRTR2 | O43614 | 5/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.45 |
| ▸ | LMNA | P02545 | 3/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.44 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.44 |
| ▸ | MRGPRX1 | Q96LB2 | 2/20 | 0.43 |
| ▸ | UGCG | Q16739 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.42 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | S1PR2 | O95136 | 1/20 | 0.41 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | XBP1 | P17861 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL17859344 | 0.87 | LMNA (0.60) | ALDH1A1HCRTR1HCRTR2KDM4ELMNA | |
| SCHEMBL10451670 | 0.83 | KDM4E (0.49) | ALDH1A1HCRTR1HCRTR2KDM4ELMNA | |
| SCHEMBL1434118 | 0.81 | ALDH1A1 (0.59) | ALDH1A1KDM4ELMNASMN1; SMN2PRMT5 | |
| Acetic Acid SCHEMBL5482846 | 0.81 | HTT (0.52) | ALDH1A1HCRTR1HCRTR2KDM4ELMNA | |
| SCHEMBL19604253 | 0.81 | ABCB1 (0.50) | ALDH1A1HCRTR1HCRTR2KDM4ECYP1A2 | |
| SCHEMBL10499645 | 0.81 | SLC6A3 (0.54) | ALDH1A1KDM4ELMNASMN1; SMN2CYP1A2 | |
| SCHEMBL19599253 | 0.81 | UGCG (0.48) | ALDH1A1HCRTR1HCRTR2KDM4ECYP1A2 | |
| SCHEMBL6789664 | 0.80 | KDM4E (0.47) | ALDH1A1HCRTR1HCRTR2KDM4ELMNA | |
| SCHEMBL11784830 | 0.80 | ALDH1A1 (0.57) | ALDH1A1KDM4ELMNASMN1; SMN2PRMT5 | |
| SCHEMBL3441526 | 0.80 | HTT (0.54) | ALDH1A1KDM4ELMNACYP1A2CYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| EP-4005637-A1 | HETEROCYCLIC COMPOUND | Takeda Pharmaceutical Company Limited (JP) | 2022-06-01 | — | — | EP | disclosed |