Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.60 |
| ▸ | ATM | Q13315 | 1/20 | 0.56 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.56 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.56 |
| ▸ | AKT1 | P31749 | 2/20 | 0.54 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.54 |
| ▸ | CASR | P41180 | 2/20 | 0.53 |
| ▸ | HTR1A | P08908 | 3/20 | 0.52 |
| ▸ | HTR7 | P34969 | 2/20 | 0.52 |
| ▸ | HTR6 | P50406 | 2/20 | 0.52 |
| ▸ | POLB | P06746 | 2/20 | 0.51 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.46 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL5268968 | 0.93 | SMN1; SMN2 (0.70) | SMN1; SMN2ATML3MBTL1CYP1A2CYP2D6 | |
| SCHEMBL2168415 | 0.93 | SMN1; SMN2 (0.70) | SMN1; SMN2ATML3MBTL1CYP1A2CYP2D6 | |
| SCHEMBL11881252 | 0.91 | SMN1; SMN2 (0.70) | SMN1; SMN2CYP1A2CYP2D6CYP2C19CASR | |
| SCHEMBL29560 | 0.87 | SMN1; SMN2 (0.76) | SMN1; SMN2CYP1A2CYP2D6CYP2C19CASR | |
| SCHEMBL774613 | 0.87 | SMN1; SMN2 (0.76) | SMN1; SMN2CYP1A2CYP2D6CYP2C19CASR | |
| SCHEMBL79765 | 0.87 | SMN1; SMN2 (0.76) | SMN1; SMN2CYP1A2CYP2D6CYP2C19CASR | |
| SCHEMBL5274105 | 0.86 | MEN1 (0.67) | SMN1; SMN2TDP1POLBMEN1KMT2A | |
| Hydrochloric Acid SCHEMBL5493749 | 0.85 | SMN1; SMN2 (0.79) | SMN1; SMN2CYP1A2CYP2D6CYP2C19TDP1 | |
| SCHEMBL27939948 | 0.85 | SMN1; SMN2 (0.73) | SMN1; SMN2CYP1A2CYP2D6CYP2C19CASR | |
| Hydrochloric Acid SCHEMBL9635019 | 0.85 | SMN1; SMN2 (0.79) | SMN1; SMN2CYP1A2CYP2D6CYP2C19TDP1 |
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-6500986-B1 | RACEMIZATION OF OPTICALLY ACTIVE AMIDES; CONVERSION TO AMINES | BAYER AKTIENGESELLSCHAFT (DE) | 2002-12-31 | — | — | US | claimed |
| EP-0757981-B1 | Process for the preparation of racemic amino derivatives | BAYER AG (DE) | 2000-02-16 | — | — | EP | claimed |