Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.56 |
| ▸ | TSHR | P16473 | 4/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.56 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | S1PR2 | O95136 | 5/20 | 0.38 |
| ▸ | S1PR4 | O95977 | 5/20 | 0.38 |
| ▸ | S1PR1 | P21453 | 5/20 | 0.38 |
| ▸ | S1PR3 | Q99500 | 5/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.38 |
| ▸ | ADH1B | P00325 | 2/20 | 0.38 |
| ▸ | ADH1C | P00326 | 2/20 | 0.38 |
| ▸ | ADH1A | P07327 | 2/20 | 0.38 |
| ▸ | ADH7 | P40394 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | USP2 | O75604 | 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 | |
|---|---|---|---|---|
| SCHEMBL19033247 | 0.94 | ALDH1A1 (0.48) | ALDH1A1TSHRCYP3A4TDP1CA2 | |
| SCHEMBL19956032 | 0.93 | ALDH1A1 (0.52) | ALDH1A1TSHRCYP3A4TDP1LMNA | |
| SCHEMBL12478812 | 0.93 | ALDH1A1 (0.59) | ALDH1A1TSHRCYP3A4TDP1CA2 | |
| SCHEMBL24347570 | 0.89 | ALDH1A1 (0.54) | ALDH1A1TSHRCYP3A4TDP1CA2 | |
| SCHEMBL27383605 | 0.89 | ALDH1A1 (0.54) | ALDH1A1TSHRCYP3A4TDP1CA2 | |
| SCHEMBL30948922 | 0.89 | TSHR (0.59) | ALDH1A1TSHRCYP3A4LMNAS1PR2 | |
| SCHEMBL21410771 | 0.89 | ALDH1A1 (0.59) | ALDH1A1TSHRCYP3A4TDP1LMNA | |
| SCHEMBL26029112 | 0.86 | ALDH1A1 (0.50) | ALDH1A1TSHRCYP3A4TDP1CA2 | |
| SCHEMBL22624698 | 0.85 | ALDH1A1 (0.43) | ALDH1A1TSHRCYP3A4TDP1CA2 | |
| SCHEMBL16390086 | 0.84 | ALDH1A1 (0.50) | ALDH1A1TSHRCYP3A4TDP1CA2 |
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-3160952-B1 | HISTONE DEMETHYLASE INHIBITORS | CELGENE QUANTICEL RES INC (US) | 2020-12-02 | — | — | EP | disclosed |