Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B1 | P15538 | 2/20 | 0.45 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.45 |
| ▸ | GSTP1 | P09211 | 1/20 | 0.42 |
| ▸ | GSTM2 | P28161 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | PPARD | Q03181 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | TTR | P02766 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL4596411 | 0.86 | CYP11B1 (0.51) | CYP11B1CYP11B2ALDH1A1TDP1POLB | |
| SCHEMBL4890673 | 0.84 | CYP11B1 (0.50) | CYP11B1CYP11B2ALDH1A1POLBMAPT | |
| SCHEMBL4596709 | 0.84 | CYP11B1 (0.47) | CYP11B1CYP11B2ALDH1A1TDP1POLB | |
| SCHEMBL3903976 | 0.73 | KIF11 (0.51) | ALDH1A1TDP1MAPTSMN1; SMN2LMNA | |
| SCHEMBL8354960 | 0.72 | KMT2A (0.58) | ALDH1A1TDP1POLBPPARDMAPT | |
| SCHEMBL4898796 | 0.70 | TTR (0.43) | CYP11B1CYP11B2ALDH1A1TDP1POLB | |
| SCHEMBL4596243 | 0.70 | GSTP1 (0.53) | GSTP1GSTM2ALDH1A1POLBMAPT | |
| SCHEMBL4594932 | 0.70 | MAPT (0.50) | ALDH1A1POLBMAPTSMN1; SMN2NPC1 | |
| SCHEMBL4596633 | 0.69 | MGLL (0.41) | ALDH1A1TDP1POLBPPARDMAPT | |
| SCHEMBL4594989 | 0.69 | TTR (0.52) | ALDH1A1TDP1MAPTCYP3A4TTR |
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-1874753-A2 | COMPOUNDS, COMPOSITIONS AND METHODS | SMITHKLINE BEECHAM CORPORATION (US) | 2008-01-09 | — | — | EP | disclosed |
| WO-2006113432-A2 | COMPOUNDS, COMPOSITIONS AND METHODS | SMITHKLINE BEECHAM CORPORATION (US) | 2006-10-26 | — | — | WO | disclosed |