Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 3/20 | 0.39 |
| ▸ | TYMP | P19971 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.36 |
| ▸ | DAO | P14920 | 1/20 | 0.36 |
| ▸ | ANPEP | P15144 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | PIM1 | P11309 | 1/20 | 0.34 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | FBP1 | P09467 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL20826808 | 0.82 | HPGD (0.36) | HPGDTYMPHSD17B10ALDH1A1L3MBTL1 | |
| SCHEMBL22728505 | 0.81 | HSD17B10 (0.38) | HPGDTYMPHSD17B10ALDH1A1L3MBTL1 | |
| SCHEMBL13847837 | 0.68 | TYMP (0.49) | HPGDTYMPHSD17B10ALDH1A1L3MBTL1 | |
| SCHEMBL23895391 | 0.64 | ALDH1A1 (0.46) | HPGDTYMPHSD17B10ALDH1A1L3MBTL1 | |
| SCHEMBL25226945 | 0.62 | HRH3 (0.48) | HPGDALDH1A1MAPTLMNANPSR1 | |
| SCHEMBL25228984 | 0.61 | HRH3 (0.46) | HPGDALDH1A1MAPTLMNAGAA | |
| SCHEMBL31679428 | 0.60 | CXCR4 (0.61) | HSD17B10ALDH1A1CXCR4KDM4ECYP2C9 | |
| SCHEMBL17080613 | 0.60 | HRH3 (0.52) | HSD17B10ALDH1A1CXCR4CYP2C9ALOX15 | |
| SCHEMBL19458031 | 0.60 | PABPC1 (0.72) | HPGDTYMPHSD17B10ALDH1A1KDM4E | |
| SCHEMBL23665137 | 0.59 | CXCR4 (0.65) | HPGDHSD17B10ALDH1A1CXCR4KDM4E |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3100735-A1 | CRYSTALLINE FOSAPREPITANT DICYCLOHEXYLAMINE SALT AND ITS PREPARATION | Navinta, llc. (US) | 2016-12-07 | — | — | EP | disclosed |