Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | STAT1 | P42224 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.33 |
| ▸ | RELA | Q04206 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | MOK | Q9UQ07 | 2/20 | 0.33 |
| ▸ | PPARD | Q03181 | 4/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.31 |
| ▸ | GLA | P06280 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | CYSLTR1 | Q9Y271 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| Hexanoate SCHEMBL8548589 | 0.87 | ACHE (0.33) | ALDH1A1NPC1RAB9ASMN1; SMN2MOK | |
| Hexanoate SCHEMBL8547299 | 0.77 | CNR2 (0.39) | ALDH1A1NPC1RAB9ASMN1; SMN2HPGD | |
| Hexanoate SCHEMBL8190714 | 0.72 | HTR1F (0.39) | ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E | |
| Hexanoate SCHEMBL8553500 | 0.71 | KDM4E (0.40) | ALDH1A1NPC1CYP1A2CYP2C19RAB9A | |
| Hexanoate SCHEMBL8180689 | 0.64 | TLR9 (0.41) | ALDH1A1NPC1RAB9ASMN1; SMN2MAPT | |
| Hexanoate SCHEMBL8550591 | 0.64 | CNR2 (0.39) | ALDH1A1NPC1RAB9AKDM4EGLA | |
| Acetic Acid SCHEMBL8552677 | 0.64 | MEN1 (0.36) | ALDH1A1MOKKDM4EHPGDHSD17B10 | |
| SCHEMBL9953568 | 0.58 | PDE10A (0.61) | ALDH1A1CYP1A2SMN1; SMN2KDM4EGAA | |
| SCHEMBL8551891 | 0.56 | HTR1F (0.49) | ALDH1A1SMN1; SMN2KDM4EMAPK1MAPT | |
| Behenic Acid SCHEMBL31536707 | 0.56 | GPR84 (0.61) | ALDH1A1CYP1A2CYP2C19PPARDTSHR |
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 |
|---|---|---|---|---|---|---|---|
| US-5792763-A | MIGRAINES; ANALGESICS; DISEASES LINKED TO DECREASED NEUROTRANMISSION OF SEROTONIN IN MAMMALS | ELI LILLY AND COMPANY (US) | 1998-08-11 | — | — | US | disclosed |
| EP-0835869-A2 | New serotonin 5-HT1F agonists | ELI LILLY AND COMPANY (US) | 1998-04-15 | — | — | EP | disclosed |