Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.55 |
| ▸ | TP53 | P04637 | 1/20 | 0.55 |
| ▸ | LMNA | P02545 | 4/20 | 0.51 |
| ▸ | GAA | P10253 | 1/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.51 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.50 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.49 |
| ▸ | MEN1 | O00255 | 2/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.49 |
| ▸ | PKM | P14618 | 2/20 | 0.48 |
| ▸ | TSHR | P16473 | 2/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | FLT1 | P17948 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL2261171 | 0.86 | ALDH1A1 (0.60) | ALDH1A1TP53LMNAGAAL3MBTL1 | |
| SCHEMBL2261232 | 0.83 | ALDH1A1 (0.58) | ALDH1A1TP53LMNAGAAL3MBTL1 | |
| SCHEMBL2260544 | 0.77 | ALDH1A1 (0.62) | ALDH1A1TP53LMNAGAAL3MBTL1 | |
| SCHEMBL2260761 | 0.76 | ALDH1A1 (0.58) | ALDH1A1TP53LMNAGAAL3MBTL1 | |
| SCHEMBL2261153 | 0.75 | ALDH1A1 (0.61) | ALDH1A1TP53LMNAGAAL3MBTL1 | |
| SCHEMBL2263708 | 0.75 | ALDH1A1 (0.61) | ALDH1A1TP53LMNAGAAL3MBTL1 | |
| SCHEMBL27766045 | 0.74 | ALDH1A1 (0.58) | ALDH1A1TP53LMNAGAAL3MBTL1 | |
| SCHEMBL3244835 | 0.73 | ALDH1A1 (0.65) | ALDH1A1TP53LMNAGAAL3MBTL1 | |
| SCHEMBL4598863 | 0.73 | LDHA (0.64) | ALDH1A1LMNAHTT | |
| SCHEMBL4598867 | 0.73 | LDHA (0.64) | ALDH1A1LMNAHTT |
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-2007717-A1 | NOVEL SULFONAMIDE COMPOUNDS | Actelion Pharmaceuticals Ltd. (CH) | 2008-12-31 | — | — | EP | disclosed |
| WO-2007116374-A1 | NOVEL SULFONAMIDE COMPOUNDS | ACTELION PHARMACEUTICALS LTD (CH) | 2007-10-18 | — | — | WO | disclosed |