Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR2 | P34972 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 6/20 | 0.38 |
| ▸ | RAB9A | P51151 | 6/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | MGLL | Q99685 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | LTB4R2 | Q9NPC1 | 1/20 | 0.36 |
| ▸ | FAAH | O00519 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.34 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.34 |
| ▸ | MTOR | P42345 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.34 |
| ▸ | USP2 | O75604 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | GLA | P06280 | 1/20 | 0.34 |
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 SCHEMBL8180689 | 0.86 | TLR9 (0.41) | CNR2NPC1RAB9AKMT2AMGLL | |
| Hexanoate SCHEMBL8547299 | 0.86 | CNR2 (0.39) | CNR2NPC1RAB9AMGLLALDH1A1 | |
| Hexanoate SCHEMBL8548589 | 0.77 | ACHE (0.33) | NPC1RAB9AALDH1A1KDM4EHSD17B10 | |
| Hexanoate SCHEMBL8551431 | 0.76 | KDM4E (0.40) | NPC1RAB9AKMT2AALDH1A1MAPT | |
| Acetic Acid SCHEMBL8552677 | 0.74 | MEN1 (0.36) | KMT2AALDH1A1MAPTKDM4EHSD17B10 | |
| SCHEMBL8551076 | 0.72 | CNR2 (0.41) | CNR2NPC1RAB9AKMT2AALDH1A1 | |
| Hexanoate SCHEMBL8190714 | 0.66 | HTR1F (0.39) | NPC1RAB9AKMT2AALDH1A1MAPT | |
| Hexanoate SCHEMBL8550529 | 0.64 | ALDH1A1 (0.33) | NPC1RAB9AALDH1A1MAPTKDM4E | |
| SCHEMBL16846177 | 0.61 | PDE10A (0.53) | NPC1RAB9AKMT2AALDH1A1MAPT | |
| Benzoic Acid SCHEMBL8549272 | 0.60 | NPC1 (0.35) | NPC1RAB9AKMT2AALDH1A1MAPT |
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 |