Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 2/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.33 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | GPR84 | Q9NQS5 | 2/20 | 0.31 |
| ▸ | SKP2 | Q13309 | 1/20 | 0.31 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.31 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.31 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.31 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.31 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.30 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.30 |
| ▸ | RELA | Q04206 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL3232455 | 0.91 | HPGD (0.39) | TRPV1NPC1MAPK1RAB9AHPGD | |
| SCHEMBL12621186 | 0.79 | GPR84 (0.46) | NPC1MAPK1RAB9AHPGDHTT | |
| SCHEMBL613761 | 0.79 | ALDH1A1 (0.46) | ALDH1A1 | |
| SCHEMBL30374708 | 0.79 | ALDH1A1 (0.46) | ALDH1A1 | |
| SCHEMBL18003118 | 0.77 | ALDH1A1 (0.39) | ALDH1A1ALDH3A1ALDH1A3SMN1; SMN2 | |
| SCHEMBL16684637 | 0.76 | ALDH1A1 (0.32) | ALDH1A1 | |
| SCHEMBL31108180 | 0.76 | PTGS2 (0.48) | TRPV1ALDH1A1GPR84PTGS2CYP3A4 | |
| SCHEMBL16960722 | 0.74 | NPC1 (0.39) | TRPV1NPC1MAPK1RAB9AHPGD | |
| SCHEMBL16959623 | 0.74 | HPGD (0.43) | TRPV1NPC1MAPK1RAB9AHPGD | |
| SCHEMBL4197444 | 0.73 | NPC1 (0.50) | TRPV1NPC1MAPK1RAB9AHPGD |
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-2091928-A2 | 3-(2-ACYLAMINO-1-HYDROXYETHYL)- MORPHOLINE DERIVATIVES AND THEIR USE AS BACE INHIBITORS | ELI LILLY AND COMPANY (US) | 2009-08-26 | — | — | EP | disclosed |
| WO-2006034093-A2 | 3- (2-ACYLAMINO-1-HYDROXYETHYL)- MORPHOLINE DERIVATIVES AND THEIR USE AS BACE INHIBITORS | ELLI LILLY AND COMPANY (US) | 2006-03-30 | — | — | WO | disclosed |