Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.62 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.56 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.56 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.56 |
| ▸ | SLC15A1 | P46059 | 1/20 | 0.48 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.47 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | ATM | Q13315 | 1/20 | 0.47 |
| ▸ | CDC25B | P30305 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | MMP9 | P14780 | 1/20 | 0.45 |
| ▸ | CTSK | P43235 | 2/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL294341 | 0.86 | ALDH1A1 (0.73) | ALDH1A1MAPK1L3MBTL1SLC6A2SLC6A3 | |
| SCHEMBL9824533 | 0.85 | ALDH1A1 (0.48) | TSHRALDH1A1MAPK1KMT2ANPC1 | |
| SCHEMBL11050670 | 0.84 | TSHR (0.58) | TSHRALDH1A1MAPK1L3MBTL1SLC15A1 | |
| SCHEMBL11139046 | 0.84 | TSHR (0.58) | TSHRALDH1A1MAPK1L3MBTL1SLC15A1 | |
| SCHEMBL8069055 | 0.84 | ALDH1A1 (0.70) | ALDH1A1MAPK1L3MBTL1SLC6A2SLC6A3 | |
| SCHEMBL24665788 | 0.83 | ALDH1A1 (0.56) | TSHRALDH1A1MAPK1L3MBTL1SLC15A1 | |
| SCHEMBL9358970 | 0.83 | TSHR (0.50) | TSHRALDH1A1MAPK1L3MBTL1SLC15A1 | |
| SCHEMBL9824734 | 0.83 | ALDH1A1 (0.55) | ALDH1A1MAPK1L3MBTL1KMT2AATM | |
| SCHEMBL3726102 | 0.82 | ALDH1A1 (0.63) | ALDH1A1MAPK1L3MBTL1SLC6A2SLC6A3 | |
| SCHEMBL26779695 | 0.81 | ALDH1A1 (0.55) | TSHRALDH1A1MAPK1L3MBTL1SLC15A1 |
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-0343654-A2 | Diol-containing renin inhibitors | WARNER-LAMBERT COMPANY (US) | 1989-11-29 | — | — | EP | disclosed |