Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | KCNN4 | O15554 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.37 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.37 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.37 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.37 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.37 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.37 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.37 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.37 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.37 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.37 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL8048285 | 1.00 | ALDH1A1 (0.39) | ALDH1A1TSHRKCNN4CYP2C19HIF1A | |
| SCHEMBL8038268 | 1.00 | ALDH1A1 (0.39) | ALDH1A1TSHRKCNN4CYP2C19HIF1A | |
| SCHEMBL1975199 | 0.83 | PIN1 (0.44) | ALDH1A1KCNN4LMNACYP2D6MAPT | |
| SCHEMBL14306296 | 0.80 | KCNN4 (0.43) | ALDH1A1TSHRKCNN4CYP2C19HIF1A | |
| SCHEMBL4450821 | 0.80 | KCNN4 (0.43) | ALDH1A1TSHRKCNN4CYP2C19HIF1A | |
| SCHEMBL4943741 | 0.79 | CYP1A2 (0.46) | ALDH1A1TSHRKCNN4CYP2C19HIF1A | |
| SCHEMBL3937565 | 0.77 | HDAC1 (0.42) | ALDH1A1KCNN4CYP2C19HIF1ALMNA | |
| SCHEMBL9829581 | 0.77 | CXCR2 (0.42) | ALDH1A1TSHRKCNN4CYP2C19HIF1A | |
| SCHEMBL9829583 | 0.77 | CXCR2 (0.42) | ALDH1A1TSHRKCNN4CYP2C19HIF1A | |
| SCHEMBL2089894 | 0.76 | MAPT (0.43) | ALDH1A1KCNN4CYP2C19HIF1ALMNA |
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-0993436-A1 | (S) 2-METHYLAMINO-2-PHENYL-$i(n)-BUTYL 3,4,5-TRIMETHOXYBENZOATE, ITS APPLICATION TO THE TREATMENT OF CHRONIC PAIN | PARKE-DAVIS (FR) | 2000-04-19 | — | — | EP | disclosed |
| WO-1999001417-A1 | (S) 2-METHYLAMINO-2-PHENYL-n-BUTYL 3,4,5-TRIMETHOXYBENZOATE, ITS APPLICATION TO THE TREATMENT OF CHRONIC PAIN | PARKE-DAVIS (FR) | 1999-01-14 | — | — | WO | disclosed |