Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 18/20 | 0.40 |
| ▸ | MAPT | P10636 | 16/20 | 0.40 |
| ▸ | GAA | P10253 | 12/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 12/20 | 0.40 |
| ▸ | RAD52 | P43351 | 5/20 | 0.39 |
| ▸ | LMNA | P02545 | 4/20 | 0.39 |
| ▸ | HTT | P42858 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RECQL | P46063 | 1/20 | 0.36 |
| ▸ | BLM | P54132 | 2/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | GLA | P06280 | 1/20 | 0.35 |
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 SCHEMBL7141372 | 0.87 | KDM4E (0.40) | KDM4EMAPTGAAALDH1A1RAD52 | |
| Hexanoate SCHEMBL8553500 | 0.87 | KDM4E (0.40) | KDM4EMAPTGAAALDH1A1RAD52 | |
| Hexanoate SCHEMBL8550591 | 0.76 | CNR2 (0.39) | KDM4EMAPTGAAALDH1A1RAB9A | |
| Hexanoate SCHEMBL8548589 | 0.71 | ACHE (0.33) | KDM4EALDH1A1SMN1; SMN2RAB9ANPC1 | |
| Acetic Acid SCHEMBL8552677 | 0.65 | MEN1 (0.36) | KDM4EMAPTALDH1A1KMT2AMEN1 | |
| SCHEMBL8552755 | 0.63 | KDM4E (0.43) | KDM4EMAPTGAAALDH1A1RAD52 | |
| Hexanoate SCHEMBL8547299 | 0.63 | CNR2 (0.39) | MAPTALDH1A1SMN1; SMN2RAB9ANPC1 | |
| Hexanoate SCHEMBL8180689 | 0.63 | TLR9 (0.41) | MAPTALDH1A1SMN1; SMN2RAB9AKMT2A | |
| Hexanoate SCHEMBL8190714 | 0.60 | HTR1F (0.39) | KDM4EMAPTALDH1A1SMN1; SMN2RAB9A | |
| SCHEMBL9953568 | 0.58 | PDE10A (0.61) | KDM4EMAPTGAAALDH1A1HTT |
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 |