Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.56 |
| ▸ | LMNA | P02545 | 5/20 | 0.53 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.53 |
| ▸ | GAA | P10253 | 2/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.46 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 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 | |
|---|---|---|---|---|
| SCHEMBL7825774 | 0.80 | LMNA (0.57) | ALDH1A1LMNAL3MBTL1GAACYP2C19 | |
| SCHEMBL29671348 | 0.78 | ALDH1A1 (0.61) | ALDH1A1LMNAL3MBTL1GAACYP2C19 | |
| SCHEMBL228778 | 0.78 | ALDH1A1 (0.61) | ALDH1A1LMNAL3MBTL1GAACYP2C19 | |
| SCHEMBL14424505 | 0.76 | ALDH1A1 (0.48) | ALDH1A1GAAMAPTPOLBKDM4E | |
| SCHEMBL607557 | 0.76 | ALDH1A1 (0.65) | ALDH1A1LMNAL3MBTL1GAACYP2C19 | |
| SCHEMBL702149 | 0.76 | ALDH1A1 (0.59) | ALDH1A1LMNAL3MBTL1GAACYP2C19 | |
| Lithium SCHEMBL31310856 | 0.76 | ALDH1A1 (0.59) | ALDH1A1LMNAL3MBTL1GAACYP2C19 | |
| SCHEMBL19902933 | 0.74 | HCRTR1 (0.40) | CYP3A4 | |
| SCHEMBL22383443 | 0.74 | NPC1 (0.46) | ALDH1A1LMNAGAAKMT2AMEN1 | |
| SCHEMBL11766314 | 0.73 | CYP2C19 (0.65) | ALDH1A1LMNAL3MBTL1GAACYP2C19 |
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-3287454-A1 | HETEROCYCLIC COMPOUND | Takeda Pharmaceutical Company Limited (JP) | 2018-02-28 | — | — | EP | disclosed |