Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.48 |
| ▸ | TSHR | P16473 | 7/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 3/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.35 |
| ▸ | KAT2B | Q92831 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | RECQL | P46063 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.33 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.33 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.33 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.33 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL5205707 | 0.81 | ALDH1A1 (0.48) | ALDH1A1TDP1TSHRCYP3A4SMN1; SMN2 | |
| SCHEMBL671038 | 0.81 | ALDH1A1 (0.48) | ALDH1A1TDP1TSHRCYP3A4SMN1; SMN2 | |
| SCHEMBL25234798 | 0.81 | ALDH1A1 (0.48) | ALDH1A1TDP1TSHRCYP3A4SMN1; SMN2 | |
| SCHEMBL4427648 | 0.79 | ALDH1A1 (0.71) | ALDH1A1TDP1TSHRCYP3A4SMN1; SMN2 | |
| SCHEMBL3192684 | 0.78 | ALDH1A1 (0.62) | ALDH1A1TDP1TSHRCYP3A4SMN1; SMN2 | |
| Butane SCHEMBL27499178 | 0.76 | ALDH1A1 (0.60) | ALDH1A1TDP1TSHRCYP3A4SMN1; SMN2 | |
| SCHEMBL2491279 | 0.75 | NPSR1 (0.47) | ALDH1A1TDP1TSHRPOLB | |
| SCHEMBL8743937 | 0.75 | ALDH1A1 (0.54) | ALDH1A1TDP1TSHRCYP3A4SMN1; SMN2 | |
| SCHEMBL2490626 | 0.74 | ALDH1A1 (0.41) | ALDH1A1TDP1TSHRCYP3A4POLB | |
| SCHEMBL2492917 | 0.74 | ALDH1A1 (0.41) | ALDH1A1TDP1TSHRSMN1; SMN2MEN1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-101578259-A | 1,4 diamino bicyclic retigabine analogues as potassium channel modulators | VALEANT PHARMACEUTICALS INT (US) | 2009-11-11 | — | — | CN | disclosed |