Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.41 |
| ▸ | TSHR | P16473 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.37 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | ATP4A | P20648 | 1/20 | 0.35 |
| ▸ | ATP4B | P51164 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.33 |
| ▸ | IDO1 | P14902 | 3/20 | 0.33 |
| ▸ | ABL1 | P00519 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL11778076 | 0.79 | CYP3A4 (0.56) | CYP3A4SMN1; SMN2TSHRALDH1A1ALOX15 | |
| SCHEMBL97595 | 0.77 | ACLY (0.47) | CYP3A4MAPK1IDO1CYP1A2CYP2C9 | |
| SCHEMBL3789810 | 0.77 | CYP3A4 (0.45) | CYP3A4SMN1; SMN2TSHRALDH1A1ALOX15 | |
| SCHEMBL9818272 | 0.76 | ACLY (0.49) | IDO1 | |
| SCHEMBL12505462 | 0.75 | ALDH1A1 (0.44) | CYP3A4SMN1; SMN2TSHRALDH1A1ALOX15 | |
| SCHEMBL3244838 | 0.74 | SIGMAR1 (0.39) | CYP3A4SMN1; SMN2ALDH1A1ALOX15ATP4A | |
| SCHEMBL28227543 | 0.74 | CYP3A4 (0.50) | CYP3A4SMN1; SMN2TSHRALDH1A1ALOX15 | |
| SCHEMBL13245880 | 0.74 | TSHR (0.50) | CYP3A4SMN1; SMN2TSHRALDH1A1ALOX15 | |
| SCHEMBL29758099 | 0.73 | CYP3A4 (0.54) | CYP3A4SMN1; SMN2TSHRALDH1A1ALOX15 | |
| SCHEMBL358331 | 0.73 | CYP3A4 (0.54) | CYP3A4SMN1; SMN2TSHRALDH1A1ALOX15 |
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 |
|---|---|---|---|---|---|---|---|
| US-7402652-B2 | Baclofen conjugate and a pharmaceutical composition for treatment of neuronal disorders | MILLER LANDON C G | 2008-07-22 | — | — | US | disclosed |
| US-20060058221-A1 | Baclofen conjugate and a pharmaceutical composition for treatment of neuronal disorders | MILLER LANDON C | 2006-03-16 | — | — | US | disclosed |