Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.51 |
| ▸ | MAPT | P10636 | 3/20 | 0.51 |
| ▸ | LMNA | P02545 | 3/20 | 0.51 |
| ▸ | NPC1 | O15118 | 2/20 | 0.51 |
| ▸ | RAB9A | P51151 | 1/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.51 |
| ▸ | MEN1 | O00255 | 2/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
| ▸ | HTT | P42858 | 2/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | CNR1 | P21554 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | EGFR | P00533 | 1/20 | 0.45 |
| ▸ | MMP1 | P03956 | 2/20 | 0.45 |
| ▸ | MMP13 | P45452 | 1/20 | 0.45 |
| ▸ | MMP2 | P08253 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL19732946 | 0.90 | LMNA (0.51) | ALDH1A1LMNARAB9AMMP1MMP13 | |
| SCHEMBL19732933 | 0.85 | L3MBTL1 (0.45) | ALDH1A1MAPTLMNANPC1RAB9A | |
| SCHEMBL19732939 | 0.84 | TP53 (0.47) | ALDH1A1LMNASMN1; SMN2MEN1KMT2A | |
| SCHEMBL19732918 | 0.83 | LMNA (0.59) | ALDH1A1LMNAGAA | |
| SCHEMBL7366924 | 0.81 | MMP2 (0.54) | ALDH1A1MAPTLMNANPC1RAB9A | |
| SCHEMBL19732928 | 0.81 | RORC (0.44) | ALDH1A1LMNAKMT2APRSS1 | |
| SCHEMBL19732931 | 0.81 | ACHE (0.46) | ALDH1A1MAPTLMNARAB9AMEN1 | |
| SCHEMBL19732917 | 0.81 | POLB (0.45) | ALDH1A1MAPTLMNAMEN1KMT2A | |
| SCHEMBL19732934 | 0.80 | LMNA (0.48) | ALDH1A1MAPTLMNANPC1RAB9A | |
| SCHEMBL19732921 | 0.78 | MEN1 (0.44) | ALDH1A1MAPTLMNASMN1; SMN2MEN1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3260446-A1 | ENANTIOSELECTIVE SYNTHESIS OF DIHYDROPYRIMIDINONES AND HEXAHYDROPYRIMIDINONES | Universitat de les Illes Balears (ES) | 2017-12-27 | — | — | EP | disclosed |
| EP-3260446-A1 | ENANTIOSELECTIVE SYNTHESIS OF DIHYDROPYRIMIDINONES AND HEXAHYDROPYRIMIDINONES | Universitat de les Illes Balears (ES) | 2017-12-27 | — | — | EP | disclosed |