Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.59 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.59 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.58 |
| ▸ | LMNA | P02545 | 1/20 | 0.58 |
| ▸ | GAA | P10253 | 1/20 | 0.58 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.54 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.43 |
| ▸ | WDR77 | Q9BQA1 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | IKBKB | O14920 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | SSTR3 | P32745 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL536342 | 0.84 | ALDH1A1 (0.79) | ALDH1A1NPSR1KDM4ELMNAGAA | |
| SCHEMBL1609683 | 0.81 | CYP2D6 (0.41) | ALDH1A1NPSR1KDM4ELMNAGAA | |
| Hydrochloric Acid SCHEMBL1612125 | 0.80 | CYP2D6 (0.40) | ALDH1A1NPSR1GAAKMT2APRMT5 | |
| SCHEMBL13057548 | 0.78 | ALDH1A1 (0.70) | ALDH1A1NPSR1KDM4ELMNAGAA | |
| SCHEMBL16033868 | 0.77 | POLB (0.53) | ALDH1A1NPSR1KMT2APRMT5WDR77 | |
| SCHEMBL6900166 | 0.77 | ALDH1A1 (0.68) | ALDH1A1NPSR1KDM4ELMNAGAA | |
| SCHEMBL536184 | 0.76 | KDM4E (0.71) | ALDH1A1NPSR1KDM4ELMNAGAA | |
| Hydrochloric Acid SCHEMBL18130662 | 0.76 | POLB (0.56) | ALDH1A1NPSR1KMT2APRMT5WDR77 | |
| SCHEMBL18768921 | 0.74 | POLB (0.59) | ALDH1A1NPSR1KMT2APRMT5WDR77 | |
| SCHEMBL1566745 | 0.74 | POLB (0.64) | ALDH1A1NPSR1KMT2APRMT5WDR77 |
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-7915419-B2 | Alkyl substituted piperidine derivatives and their use as monoamine neurotransmitter re-uptake inhibitors | NEUROSEARCH A/S (DK) | 2011-03-29 | — | — | US | claimed |
| US-7915419-B2 | Alkyl substituted piperidine derivatives and their use as monoamine neurotransmitter re-uptake inhibitors | NEUROSEARCH A/S (DK) | 2011-03-29 | — | — | US | disclosed |