Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.46 |
| ▸ | HPGD | P15428 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | ALOX5 | P09917 | 4/20 | 0.42 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.41 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.39 |
| ▸ | F2RL3 | Q96RI0 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 3/20 | 0.37 |
| ▸ | MAPT | P10636 | 3/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | GRM6 | O15303 | 1/20 | 0.36 |
| ▸ | GRM5 | P41594 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL13398512 | 0.84 | KDM4E (0.52) | ALDH1A1POLBKDM4EHPGDSMN1; SMN2 | |
| SCHEMBL20781049 | 0.83 | ALDH1A1 (0.51) | ALDH1A1POLBKDM4EHPGDSMN1; SMN2 | |
| SCHEMBL3318044 | 0.81 | KDM4E (0.69) | ALDH1A1POLBKDM4EHPGDSMN1; SMN2 | |
| SCHEMBL2189914 | 0.79 | ALDH1A1 (0.51) | ALDH1A1POLBKDM4EHPGDSMN1; SMN2 | |
| SCHEMBL20780902 | 0.75 | ALOX5 (0.40) | ALDH1A1KDM4EHPGDSMN1; SMN2HSD17B10 | |
| SCHEMBL7245046 | 0.71 | ALDH1A1 (0.44) | ALDH1A1POLBKDM4EHPGDSMN1; SMN2 | |
| SCHEMBL1340540 | 0.71 | PIN1 (0.49) | ALDH1A1KDM4EHPGDSMN1; SMN2HSD17B10 | |
| SCHEMBL984661 | 0.70 | PIN1 (0.49) | POLBSMN1; SMN2HCRTR1HCRTR2F2RL3 | |
| SCHEMBL20780956 | 0.69 | ALDH1A1 (0.47) | ALDH1A1KDM4EHPGDSMN1; SMN2HSD17B10 | |
| SCHEMBL20781137 | 0.69 | ALDH1A1 (0.69) | ALDH1A1POLBKDM4EHPGDSMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2019043407-A1 | SUBSTITUTED 2-AZABICYCLO[3.1.1]HEPTANE AND 2-AZABICYCLO[3.2.1]OCTANE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS | CHRONOS THERAPEUTICS LIMITED (GB) | 2019-03-07 | — | — | WO | disclosed |