Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PNMT | P11086 | 1/20 | 0.45 |
| ▸ | HTR2A | P28223 | 2/20 | 0.43 |
| ▸ | HTR2B | P41595 | 2/20 | 0.43 |
| ▸ | HTR2C | P28335 | 1/20 | 0.43 |
| ▸ | DAO | P14920 | 1/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.40 |
| ▸ | IDO1 | P14902 | 1/20 | 0.40 |
| ▸ | TDO2 | P48775 | 1/20 | 0.40 |
| ▸ | MC4R | P32245 | 1/20 | 0.40 |
| ▸ | ACP3 | P15309 | 2/20 | 0.39 |
| ▸ | CES2 | O00748 | 1/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.38 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.38 |
| ▸ | DRD3 | P35462 | 1/20 | 0.38 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.38 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL28049476 | 0.85 | PNMT (0.43) | PNMTHTR2AHTR2BHTR2CDAO | |
| SCHEMBL28049466 | 0.75 | ACP3 (0.46) | PNMTHTR2AHTR2BHTR2CSLC6A4 | |
| SCHEMBL255035 | 0.73 | PNMT (0.55) | PNMTHTR2AHTR2BHTR2CDAO | |
| SCHEMBL2601113 | 0.73 | DAO (0.59) | PNMTHTR2AHTR2BHTR2CDAO | |
| SCHEMBL5297372 | 0.72 | PNMT (0.51) | PNMTHTR2AHTR2BHTR2CDAO | |
| SCHEMBL20821033 | 0.71 | IDO1 (0.51) | PNMTHTR2AHTR2BHTR2CDAO | |
| SCHEMBL7929105 | 0.71 | PNMT (0.50) | PNMTHTR2AHTR2BHTR2CDAO | |
| SCHEMBL23343776 | 0.71 | PNMT (0.53) | PNMTHTR2AHTR2BHTR2CDAO | |
| SCHEMBL7336199 | 0.71 | PNMT (0.53) | PNMTHTR2AHTR2BHTR2CDAO | |
| Ammonia Solution, Strong SCHEMBL27629775 | 0.71 | PNMT (0.53) | PNMTHTR2AHTR2BHTR2CDAO |
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 |