Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | CTSB | P07858 | 5/20 | 0.42 |
| ▸ | CTSL | P07711 | 3/20 | 0.42 |
| ▸ | CTSS | P25774 | 3/20 | 0.42 |
| ▸ | CTSK | P43235 | 3/20 | 0.42 |
| ▸ | SLC15A1 | P46059 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.41 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | LTA4H | P09960 | 1/20 | 0.40 |
| ▸ | MME | P08473 | 1/20 | 0.40 |
| ▸ | ANPEP | P15144 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL7694383 | 0.81 | ALDH1A1 (0.59) | ALDH1A1SLC15A1MAPK1TDP1L3MBTL1 | |
| SCHEMBL7424592 | 0.79 | ALDH1A1 (0.55) | ALDH1A1MAPK1TDP1L3MBTL1SLC1A3 | |
| SCHEMBL3231535 | 0.79 | ALDH1A1 (0.55) | ALDH1A1SLC15A1CYP3A4TSHRMAPK1 | |
| Hydrochloric Acid SCHEMBL27925213 | 0.78 | ALDH1A1 (0.53) | ALDH1A1SLC15A1MAPK1TDP1L3MBTL1 | |
| SCHEMBL8436634 | 0.77 | ALDH1A1 (0.60) | ALDH1A1CYP3A4TSHRMAPK1TDP1 | |
| SCHEMBL23811129 | 0.75 | ALDH1A1 (0.53) | ALDH1A1SLC15A1CYP3A4TSHRMAPK1 | |
| SCHEMBL2490613 | 0.75 | ALDH1A1 (0.53) | ALDH1A1SLC15A1CYP3A4TSHRMAPK1 | |
| SCHEMBL2136782 | 0.75 | ALDH1A1 (0.56) | ALDH1A1SLC15A1CYP3A4TSHRMAPK1 | |
| SCHEMBL377573 | 0.75 | ALDH1A1 (0.56) | ALDH1A1SLC15A1CYP3A4TSHRMAPK1 | |
| SCHEMBL2130586 | 0.75 | ALDH1A1 (0.56) | ALDH1A1SLC15A1CYP3A4TSHRMAPK1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0705257-A1 | AMINOACID DERIVATIVES AS NO SYNTHASE INHIBITORS | THE WELLCOME FOUNDATION LIMITED (GB) | 1996-04-10 | — | — | EP | disclosed |
| WO-1995000505-A1 | AMINOACID DERIVATIVES AS NO SYNTHASE INHIBITORS | THE WELLCOME FOUNDATION LIMITED (GB) | 1995-01-05 | — | — | WO | disclosed |