Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 2/20 | 0.50 |
| ▸ | HRH1 | P35367 | 2/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.45 |
| ▸ | SLC6A2 | P23975 | 4/20 | 0.45 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.45 |
| ▸ | SLC6A3 | Q01959 | 4/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.45 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.45 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | CHRNB2 | P17787 | 3/20 | 0.44 |
| ▸ | CHRNA4 | P43681 | 3/20 | 0.44 |
| ▸ | ADRB1 | P08588 | 3/20 | 0.43 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.42 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.42 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL29662201 | 1.00 | HTR2A (0.50) | HTR2AHRH1SMN1; SMN2CYP2D6SLC6A2 | |
| SCHEMBL16198555 | 1.00 | HTR2A (0.50) | HTR2AHRH1SMN1; SMN2CYP2D6SLC6A2 | |
| SCHEMBL5470982 | 1.00 | HTR2A (0.50) | HTR2AHRH1SMN1; SMN2CYP2D6SLC6A2 | |
| SCHEMBL29662193 | 1.00 | HTR2A (0.50) | HTR2AHRH1SMN1; SMN2CYP2D6SLC6A2 | |
| SCHEMBL29662238 | 1.00 | HTR2A (0.50) | HTR2AHRH1SMN1; SMN2CYP2D6SLC6A2 | |
| Hydrochloric Acid SCHEMBL28779678 | 0.98 | HTR2A (0.49) | HTR2AHRH1SMN1; SMN2CYP2D6SLC6A2 | |
| Hydrochloric Acid SCHEMBL29662293 | 0.98 | HTR2A (0.49) | HTR2AHRH1SMN1; SMN2CYP2D6SLC6A2 | |
| Hydrochloric Acid SCHEMBL28779675 | 0.98 | HTR2A (0.49) | HTR2AHRH1SMN1; SMN2CYP2D6SLC6A2 | |
| SCHEMBL25698109 | 0.84 | HTR2A (0.50) | HTR2AHRH1SMN1; SMN2CYP2D6SLC6A2 | |
| SCHEMBL22984976 | 0.83 | SMN1; SMN2 (0.45) | SMN1; SMN2SLC6A2SLC6A4SLC6A3EPHX2 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114717275-A | Process for the preparation of (S) -nicotine intermediates | 弈柯莱(台州)药业有限公司 | 2022-07-08 | — | — | CN | claimed |
| CN-114717275-A | Process for the preparation of (S) -nicotine intermediates | 弈柯莱(台州)药业有限公司 | 2022-07-08 | — | — | CN | disclosed |
| CN-114717275-A | Process for the preparation of (S) -nicotine intermediates | 弈柯莱(台州)药业有限公司 | 2022-07-08 | — | — | CN | disclosed |
| WO-2014174505-A2 | A PROCESS FOR THE PREPARATION OF NICOTINE COMPRISING THE ENZYMATIC REDUCTION OF 4- (METHYLAMINO) -1- (PYRIDIN-3- YL) BUTAN-1-ONE | PERRIGO API LTD. (IL) | 2014-10-30 | — | — | WO | disclosed |
| WO-2014174505-A2 | A PROCESS FOR THE PREPARATION OF NICOTINE COMPRISING THE ENZYMATIC REDUCTION OF 4- (METHYLAMINO) -1- (PYRIDIN-3- YL) BUTAN-1-ONE | PERRIGO API LTD. (IL) | 2014-10-30 | — | — | WO | disclosed |