Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | HTR6 | P50406 | 1/20 | 0.38 |
| ▸ | ALOX5AP | P20292 | 5/20 | 0.38 |
| ▸ | FEN1 | P39748 | 5/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | HTR2A | P28223 | 2/20 | 0.35 |
| ▸ | HTR2C | P28335 | 2/20 | 0.35 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.35 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.35 |
| ▸ | FES | P07332 | 1/20 | 0.35 |
| ▸ | FER | P16591 | 1/20 | 0.35 |
| ▸ | MARK3 | P27448 | 1/20 | 0.35 |
| ▸ | FLT3 | P36888 | 1/20 | 0.35 |
| ▸ | MAP4K2 | Q12851 | 1/20 | 0.35 |
| ▸ | PKN2 | Q16513 | 1/20 | 0.35 |
| ▸ | CDC42BPA | Q5VT25 | 1/20 | 0.35 |
| ▸ | SLK | Q9H2G2 | 1/20 | 0.35 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.35 |
| ▸ | PIM2 | Q9P1W9 | 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 | |
|---|---|---|---|---|
| SCHEMBL8126619 | 0.82 | HTR6 (0.40) | ALDH1A1HTTHTR6SMN1; SMN2HTR2A | |
| SCHEMBL4394396 | 0.81 | HTR6 (0.47) | ALDH1A1HTTHTR6SMN1; SMN2HTR2A | |
| SCHEMBL8133363 | 0.76 | PDPK1 (0.40) | ALDH1A1HTTHTR6SMN1; SMN2HTR2A | |
| SCHEMBL14287257 | 0.73 | PDPK1 (0.37) | ALDH1A1HTTHTR6ALOX5APFEN1 | |
| Hydrochloric Acid SCHEMBL6613546 | 0.72 | ALDH1A1 (0.42) | ALDH1A1HTR2ACHRM2HTR1AADRA2A | |
| SCHEMBL6608260 | 0.68 | KDM4E (0.43) | ALDH1A1HTR2ACHRM2HTR1AADRA2A | |
| SCHEMBL8142621 | 0.68 | CYP3A4 (0.43) | ALDH1A1HTR1AKCNH2MAP4K1 | |
| SCHEMBL6611465 | 0.66 | HDAC1 (0.38) | — | |
| SCHEMBL13592435 | 0.66 | GRIA1 (0.34) | ALDH1A1CHRM2HTR1AADRA2ACHRM1 | |
| SCHEMBL8232020 | 0.65 | CYP2C19 (0.39) | ALDH1A1HTR2ACHRM2HTR1AADRA2A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0781285-B1 | FUSED INDOLE AND QUINOXALINE DERIVATIVES, THEIR PREPARATION AND USE AS GLUTAMATE ANTAGONISTS | NEUROSEARCH AS (DK) | 2000-01-12 | — | — | EP | disclosed |
| US-5801174-A | CEREBROVASCULAR DISORDERS | NEUROSEARCH A/S (DK) | 1998-09-01 | — | — | US | disclosed |
| WO-1996008495-A1 | FUSED INDOLE AND QUINOXALINE DERIVATIVES, THEIR PREPARATION AND USE | NEUROSEARCH A/S (DK) | 1996-03-21 | — | — | WO | disclosed |