Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.39 |
| ▸ | NPC1 | O15118 | 5/20 | 0.39 |
| ▸ | HTT | P42858 | 3/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 7/20 | 0.35 |
| ▸ | RAB9A | P51151 | 4/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | GAA | P10253 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 3/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL19207086 | 0.80 | GABRA1 (0.35) | ALDH1A1SMN1; SMN2MAPTMEN1KMT2A | |
| SCHEMBL24380970 | 0.76 | — | — | |
| SCHEMBL6441993 | 0.73 | KDM4E (0.47) | ALDH1A1KDM4ENPC1HTTPOLB | |
| SCHEMBL28373829 | 0.71 | NPC1 (0.41) | ALDH1A1KDM4ENPC1SMN1; SMN2RAB9A | |
| SCHEMBL22623634 | 0.68 | ALDH1A1 (0.46) | ALDH1A1KDM4EPOLBSMN1; SMN2MEN1 | |
| SCHEMBL1633849 | 0.67 | ALDH1A1 (0.40) | ALDH1A1MAPTLMNAHSD17B10 | |
| SCHEMBL29911770 | 0.67 | SMN1; SMN2 (0.49) | ALDH1A1KDM4ENPC1HTTPOLB | |
| SCHEMBL6441995 | 0.65 | KDM4E (0.38) | ALDH1A1KDM4ENPC1HTTPOLB | |
| SCHEMBL22750381 | 0.65 | HTT (0.33) | ALDH1A1KDM4ENPC1HTTTDP1 | |
| SCHEMBL29953673 | 0.65 | POLB (0.40) | ALDH1A1KDM4EPOLBMAPTLMNA |
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-2017139603-A1 | HALO-SUBSTITUTED PIPERIDINES AS OREXIN RECEPTOR MODULATORS | ASTRAZENECA AB (SE) | 2017-08-17 | — | — | WO | disclosed |