Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | APAF1 | O14727 | 1/20 | 0.58 |
| ▸ | ANPEP | P15144 | 1/20 | 0.49 |
| ▸ | POLB | P06746 | 2/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | CASR | P41180 | 2/20 | 0.46 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.46 |
| ▸ | HTR1A | P08908 | 1/20 | 0.46 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.46 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.46 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.46 |
| ▸ | SMPD1 | P17405 | 1/20 | 0.46 |
| ▸ | DRD1 | P21728 | 1/20 | 0.46 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.46 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.46 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.46 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.46 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.46 |
| ▸ | DRD3 | P35462 | 1/20 | 0.46 |
| ▸ | HTR2B | P41595 | 1/20 | 0.46 |
| ▸ | SLC6A3 | Q01959 | 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 | |
|---|---|---|---|---|
| SCHEMBL2226693 | 1.00 | APAF1 (0.58) | APAF1ANPEPPOLBCYP3A4CASR | |
| SCHEMBL364026 | 1.00 | APAF1 (0.58) | APAF1ANPEPPOLBCYP3A4CASR | |
| SCHEMBL363944 | 1.00 | APAF1 (0.58) | APAF1ANPEPPOLBCYP3A4CASR | |
| SCHEMBL365455 | 1.00 | APAF1 (0.58) | APAF1ANPEPPOLBCYP3A4CASR | |
| SCHEMBL364025 | 1.00 | APAF1 (0.58) | APAF1ANPEPPOLBCYP3A4CASR | |
| SCHEMBL363948 | 1.00 | APAF1 (0.58) | APAF1ANPEPPOLBCYP3A4CASR | |
| SCHEMBL365764 | 1.00 | APAF1 (0.58) | APAF1ANPEPPOLBCYP3A4CASR | |
| SCHEMBL2226839 | 1.00 | APAF1 (0.58) | APAF1ANPEPPOLBCYP3A4CASR | |
| SCHEMBL366001 | 0.89 | APAF1 (0.59) | APAF1ANPEPPOLBCYP3A4CASR | |
| SCHEMBL364046 | 0.89 | APAF1 (0.59) | APAF1ANPEPPOLBCYP3A4CASR |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012007814-A2 | THREE COMPONENT CO-CRYSTAL FORMATION BETWEEN DIASTEREOMERIC MIXTURES OF 3-ALKYL-4-((S)-1'PHENYLETHYLAMINO) BUTANOIC ACID AND OPTICALLY PURE 1, 1'-BI-2-NAPHTHOL | LUPIN LIMITED (IN) | 2012-01-19 | — | — | WO | claimed |
| WO-2012007814-A2 | THREE COMPONENT CO-CRYSTAL FORMATION BETWEEN DIASTEREOMERIC MIXTURES OF 3-ALKYL-4-((S)-1'PHENYLETHYLAMINO) BUTANOIC ACID AND OPTICALLY PURE 1, 1'-BI-2-NAPHTHOL | LUPIN LIMITED (IN) | 2012-01-19 | — | — | WO | disclosed |
| WO-2012007814-A2 | THREE COMPONENT CO-CRYSTAL FORMATION BETWEEN DIASTEREOMERIC MIXTURES OF 3-ALKYL-4-((S)-1'PHENYLETHYLAMINO) BUTANOIC ACID AND OPTICALLY PURE 1, 1'-BI-2-NAPHTHOL | LUPIN LIMITED (IN) | 2012-01-19 | — | — | WO | disclosed |
| WO-2011086566-A1 | METHOD OF RESOLUTION OF (RS) - 1, 1 ' - BI - 2 - NAPHTHOL FOR OBTAINING ENANTIOMERIC PURE I.E. (S) - (-) \" 1, 1 ' \"BI - 2 -NAPHTHOL AND/OR (R) - ( ) - 1, 1 ' - BI - 2 - NAPHTHOL VIA CO - CRYSTAL FORMATION WITH OPTICALLY ACTIVE DERIVATIVES OF GAMMA -AMINO ACIDS | LUPIN LIMITED (IN) | 2011-07-21 | — | — | WO | disclosed |