Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GBA1 | P04062 | 4/20 | 0.36 |
| ▸ | GLA | P06280 | 1/20 | 0.36 |
| ▸ | JAK2 | O60674 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 2/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | GAA | P10253 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | MOK | Q9UQ07 | 1/20 | 0.33 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | EGFR | P00533 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL8548884 | 0.92 | JAK2 (0.39) | GBA1GLAJAK2NPC1RAB9A | |
| Hexanoate SCHEMBL8190714 | 0.87 | HTR1F (0.39) | GBA1GLAJAK2NPC1RAB9A | |
| Hexanoate SCHEMBL8548589 | 0.85 | ACHE (0.33) | NPC1RAB9AALDH1A1KDM4ESMN1; SMN2 | |
| Hexanoate SCHEMBL8550591 | 0.80 | CNR2 (0.39) | GLANPC1RAB9AALDH1A1KDM4E | |
| Acetic Acid SCHEMBL8552677 | 0.78 | MEN1 (0.36) | ALDH1A1KDM4EMOKHPGDMEN1 | |
| Acetic Acid SCHEMBL8192311 | 0.78 | HTR1F (0.42) | GBA1GLAJAK2NPC1RAB9A | |
| SCHEMBL8550531 | 0.76 | EGFR (0.42) | GBA1GLANPC1RAB9AALDH1A1 | |
| SCHEMBL8546895 | 0.75 | MEN1 (0.43) | GBA1NPC1RAB9AMCHR1ALDH1A1 | |
| Hexanoate SCHEMBL8551431 | 0.74 | KDM4E (0.40) | GLANPC1RAB9AALDH1A1KDM4E | |
| SCHEMBL8553305 | 0.73 | SMN1; SMN2 (0.42) | GBA1GLANPC1RAB9AALDH1A1 |
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 |