Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.51 |
| ▸ | LDHA | P00338 | 1/20 | 0.51 |
| ▸ | CA2 | P00918 | 3/20 | 0.48 |
| ▸ | CA1 | P00915 | 2/20 | 0.48 |
| ▸ | CA9 | Q16790 | 2/20 | 0.48 |
| ▸ | CA12 | O43570 | 1/20 | 0.48 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.47 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | POLB | P06746 | 2/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | CASP1 | P29466 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 3/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | HTT | P42858 | 2/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL20482676 | 0.85 | SMPD1 (0.52) | ALDH1A1KMT2AMEN1TSHRLMNA | |
| SCHEMBL27585681 | 0.84 | PDE4A (0.52) | POLB | |
| SCHEMBL20482698 | 0.83 | KMT2A (0.64) | ALDH1A1CA2CA1CA9CA12 | |
| SCHEMBL20482573 | 0.83 | ITGB1 (0.46) | ALDH1A1LDHAITGB1ITGA4KMT2A | |
| SCHEMBL2961711 | 0.82 | KMT2A (0.43) | ALDH1A1ITGB1ITGA4KMT2AMEN1 | |
| SCHEMBL20482850 | 0.79 | ALDH1A1 (0.51) | ALDH1A1LDHACA2CA1CA9 | |
| SCHEMBL20482537 | 0.78 | REN (0.43) | ALDH1A1LDHAITGB1ITGA4 | |
| SCHEMBL6626906 | 0.77 | ALDH1A1 (0.48) | ALDH1A1LDHAITGB1ITGA4KMT2A | |
| SCHEMBL20482664 | 0.77 | REN (0.45) | KMT2ATSHRLMNAHTT | |
| SCHEMBL20482686 | 0.76 | ITGB1 (0.39) | ALDH1A1ITGB1ITGA4KMT2AMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018154466-A1 | DIHYDROQUINOLIZINONES AS ANTIVIRALS | GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) | 2018-08-30 | — | — | WO | disclosed |
| CN-102249937-A | Preparation method of 1-(S)-4, 5-dimethyamino-1-methylaminomethyl-benzocyclobutane | SHANGHAI JINGXIN BIOLOG MEDICAL CO LTD | 2011-11-23 | — | — | CN | disclosed |