Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.44 |
| ▸ | S1PR3 | Q99500 | 3/20 | 0.44 |
| ▸ | USP2 | O75604 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.41 |
| ▸ | MAPT | P10636 | 5/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | BLM | P54132 | 3/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 2/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
| ▸ | RECQL | P46063 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL7277649 | 0.75 | ALDH1A1 (0.50) | ALDH1A1S1PR3USP2GAAKDM4E | |
| SCHEMBL2689462 | 0.72 | ALDH1A1 (0.41) | ALDH1A1S1PR3USP2GAAKDM4E | |
| SCHEMBL2058977 | 0.72 | ALDH1A1 (0.46) | ALDH1A1S1PR3USP2GAAKDM4E | |
| SCHEMBL2058978 | 0.72 | ALDH1A1 (0.46) | ALDH1A1S1PR3USP2GAAKDM4E | |
| SCHEMBL2058915 | 0.72 | ALDH1A1 (0.46) | ALDH1A1S1PR3USP2GAAKDM4E | |
| SCHEMBL19293546 | 0.70 | ALDH1A1 (0.45) | ALDH1A1S1PR3USP2GAAKDM4E | |
| SCHEMBL3995627 | 0.69 | ALDH1A1 (0.47) | ALDH1A1S1PR3USP2GAAKDM4E | |
| SCHEMBL4223232 | 0.69 | — | — | |
| SCHEMBL2033245 | 0.69 | — | — | |
| SCHEMBL2033246 | 0.69 | — | — |
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-0115091-A1 | N-carboxyacyl derivatives of cyclic amino acids, useful as antihypertensives | ENI-Ente Nazionale Idrocarburi (IT) | 1984-08-08 | — | — | EP | disclosed |