Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.43 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | DRD2 | P14416 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | EDNRA | P25101 | 2/20 | 0.40 |
| ▸ | EDNRB | P24530 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | RECQL | P46063 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | GUSB | P08236 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL21065268 | 0.83 | ESR2 (0.41) | ALDH1A1KDM4ESMN1; SMN2TSHR | |
| SCHEMBL21065308 | 0.81 | KDM1A (0.44) | LMNARAB9AHSD11B1 | |
| SCHEMBL31154440 | 0.81 | DRD2 (0.43) | ALDH1A1GAALMNAKDM4EHPGD | |
| SCHEMBL31154439 | 0.81 | DRD2 (0.43) | ALDH1A1GAALMNAKDM4EHPGD | |
| SCHEMBL7969814 | 0.78 | KDM1A (0.48) | TSHR | |
| SCHEMBL7070199 | 0.76 | KMT2A (0.45) | ALDH1A1GAALMNAKDM4EHPGD | |
| SCHEMBL31414038 | 0.74 | MEN1 (0.49) | ALDH1A1LMNAKDM4EHPGDSMN1; SMN2 | |
| SCHEMBL26104884 | 0.74 | CYP2C19 (0.47) | ALDH1A1GAAKDM4ESMN1; SMN2KMT2A | |
| Bicarbonate SCHEMBL6207408 | 0.73 | ALDH1A1 (0.52) | ALDH1A1LMNAKDM4EHPGDDRD2 | |
| SCHEMBL31154380 | 0.72 | SMN1; SMN2 (0.42) | ALDH1A1GAAKDM4EHPGDHSD17B10 |
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-3068785-B1 | SUBSTITUTED 4,5,6,7-TETRAHYDROPYRAZOLO[1,5-A]PYRAZINE DERIVATIVES AS CASEIN KINASE 1 D/E INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2019-06-26 | — | — | EP | disclosed |