Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CACNA2D1 | P54289 | 2/20 | 0.50 |
| ▸ | CACNB3 | P54284 | 1/20 | 0.50 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.50 |
| ▸ | PGR | P06401 | 1/20 | 0.50 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.50 |
| ▸ | HTR2B | P41595 | 1/20 | 0.50 |
| ▸ | CACNA2D2 | Q9NY47 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | ANPEP | P15144 | 4/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.31 |
| ▸ | LAP3 | P28838 | 2/20 | 0.30 |
| ▸ | ERAP1 | Q9NZ08 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL27831068 | 1.00 | CACNA2D1 (0.50) | CACNA2D1CACNB3CACNA1CPGRADRA1A | |
| SCHEMBL19223609 | 0.79 | ALDH1A1 (0.38) | CACNA2D1CACNB3CACNA1CPGRADRA1A | |
| SCHEMBL27729788 | 0.79 | CACNA2D1 (0.48) | CACNA2D1CACNB3CACNA1CPGRADRA1A | |
| SCHEMBL1668244 | 0.79 | TSHR (0.42) | CACNA2D1CACNB3CACNA1CPGRADRA1A | |
| SCHEMBL964997 | 0.78 | CACNA2D1 (0.56) | CACNA2D1CACNB3CACNA1CPGRADRA1A | |
| SCHEMBL1131630 | 0.78 | — | — | |
| SCHEMBL7354680 | 0.78 | — | — | |
| SCHEMBL24218208 | 0.77 | CACNA2D1 (0.46) | CACNA2D1CACNB3CACNA1CPGRADRA1A | |
| SCHEMBL11726366 | 0.77 | CACNA2D1 (0.46) | CACNA2D1CACNB3CACNA1CPGRADRA1A | |
| SCHEMBL27465229 | 0.77 | ALDH1A1 (0.37) | CACNA2D1CACNB3CACNA1CPGRADRA1A |
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 |
|---|---|---|---|---|---|---|---|
| CN-101987826-A | Synthesis method of (3S)-3-aminomethyl-5-methylhexanol | TONGLING KAISHUN BIOLOGY TECHNOLOGY CO LTD | 2011-03-23 | — | — | CN | disclosed |
| CN-101987826-A | Synthesis method of (3S)-3-aminomethyl-5-methylhexanol | TONGLING KAISHUN BIOLOGY TECHNOLOGY CO LTD | 2011-03-23 | — | — | CN | disclosed |
| EP-0830338-A1 | METHOD OF MAKING (S)-3-(AMINOMETHYL)-5-METHYLHEXANOIC ACID | WARNER-LAMBERT COMPANY (US) | 1998-03-25 | — | — | EP | disclosed |
| WO-1996040617-A1 | METHOD OF MAKING (S)-3-(AMINOMETHYL)-5-METHYLHEXANOIC ACID | WARNER-LAMBERT COMPANY (US) | 1996-12-19 | — | — | WO | disclosed |