Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.34 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | EPHX1 | P07099 | 5/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.32 |
| ▸ | NPC1 | O15118 | 2/20 | 0.32 |
| ▸ | RAB9A | P51151 | 2/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.32 |
| ▸ | ADH1B | P00325 | 1/20 | 0.32 |
| ▸ | ADH1C | P00326 | 1/20 | 0.32 |
| ▸ | ADH1A | P07327 | 1/20 | 0.32 |
| ▸ | ADH4 | P08319 | 1/20 | 0.32 |
| ▸ | CA12 | O43570 | 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 | |
|---|---|---|---|---|
| SCHEMBL2660429 | 1.00 | ALDH1A1 (0.39) | ALDH1A1HSD17B10HPGDMAPK1NPSR1 | |
| SCHEMBL29843498 | 0.95 | ALDH1A1 (0.39) | ALDH1A1HSD17B10HPGDMAPK1NPSR1 | |
| SCHEMBL24230061 | 0.90 | DPP4 (0.30) | — | |
| SCHEMBL12439662 | 0.79 | MAPK1 (0.32) | MAPK1OPRK1 | |
| SCHEMBL12777678 | 0.78 | ALDH1A1 (0.33) | ALDH1A1OPRK1 | |
| SCHEMBL2229100 | 0.78 | DPP4 (0.38) | ALDH1A1 | |
| SCHEMBL17848582 | 0.76 | OPRK1 (0.36) | OPRK1SIGMAR1 | |
| SCHEMBL24766630 | 0.74 | — | — | |
| SCHEMBL732580 | 0.74 | ALDH1A1 (0.43) | ALDH1A1HSD17B10MAPTSIGMAR1LMNA | |
| SCHEMBL11393571 | 0.70 | ALDH1A1 (0.39) | ALDH1A1HSD17B10HPGDMAPTEPHX1 |
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-3100735-B1 | CRYSTALLINE FOSAPREPITANT DICYCLOHEXYLAMINE SALT AND ITS PREPARATION | NAVINTA LLC (US) | 2018-02-28 | — | — | EP | disclosed |