Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPN1 | P18031 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 3/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | MAOB | P27338 | 1/20 | 0.33 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | DPP4 | P27487 | 3/20 | 0.32 |
| ▸ | MITF | O75030 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | CNR1 | P21554 | 1/20 | 0.32 |
| ▸ | CNR2 | P34972 | 1/20 | 0.32 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.32 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL28049484 | 0.86 | TRPA1 (0.44) | PTPN1TRPA1HTTALDH1A1MAOB | |
| SCHEMBL28049460 | 0.81 | TAAR1 (0.40) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL28049485 | 0.72 | ALDH1A1 (0.44) | CYP3A4CYP2D6HTTALDH1A1TAAR1 | |
| SCHEMBL6005258 | 0.70 | PTPN1 (0.49) | PTPN1DPP4PTGDR2 | |
| SCHEMBL28015442 | 0.70 | TRPA1 (0.41) | TRPA1HTT | |
| SCHEMBL2623873 | 0.69 | GABRA1 (0.48) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL9176216 | 0.69 | GABRA1 (0.48) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL28049466 | 0.69 | ACP3 (0.46) | CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1 | |
| SCHEMBL23231694 | 0.67 | HTT (0.42) | HTTALDH1A1MAOBDPP4DPP8 | |
| SCHEMBL14478273 | 0.66 | SLC6A2 (0.55) | TAAR1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-102369188-B | As the replacement niacinamide of KCNQ2/3 conditioning agent | GRUNENTHAL GMBH (DE) | 2016-03-02 | — | — | CN | claimed |
| CN-102369188-B | As the replacement niacinamide of KCNQ2/3 conditioning agent | GRUNENTHAL GMBH (DE) | 2016-03-02 | — | — | CN | disclosed |