Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN1 | Q05586 | 4/20 | 0.48 |
| ▸ | GRIN2B | Q13224 | 4/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | HSD17B3 | P37058 | 2/20 | 0.42 |
| ▸ | GPBAR1 | Q8TDU6 | 4/20 | 0.40 |
| ▸ | LMNA | P02545 | 3/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.40 |
| ▸ | MEN1 | O00255 | 3/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | SHBG | P04278 | 2/20 | 0.40 |
| ▸ | SERPINA6 | P08185 | 2/20 | 0.40 |
| ▸ | G6PD | P11413 | 2/20 | 0.40 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.40 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.40 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL3120141 | 0.93 | GRIN1 (0.46) | GRIN1GRIN2BMAPK1ALDH1A1TP53 | |
| SCHEMBL13420804 | 0.90 | GRIN1 (0.58) | GRIN1GRIN2BMAPK1ALDH1A1TP53 | |
| SCHEMBL3202646 | 0.90 | GRIN1 (0.58) | GRIN1GRIN2BMAPK1ALDH1A1TP53 | |
| SCHEMBL7425466 | 0.90 | GRIN1 (0.58) | GRIN1GRIN2BMAPK1ALDH1A1TP53 | |
| SCHEMBL13420386 | 0.90 | GRIN1 (0.58) | GRIN1GRIN2BMAPK1ALDH1A1TP53 | |
| SCHEMBL25323084 | 0.83 | MAPK1 (0.65) | MAPK1ALDH1A1TP53MAPTHSD17B3 | |
| SCHEMBL13937154 | 0.83 | MAPK1 (0.65) | MAPK1ALDH1A1TP53MAPTHSD17B3 | |
| SCHEMBL1592435 | 0.83 | MAPK1 (0.65) | MAPK1ALDH1A1TP53MAPTHSD17B3 | |
| SCHEMBL3199417 | 0.83 | MAPK1 (0.65) | MAPK1ALDH1A1TP53MAPTHSD17B3 | |
| SCHEMBL13420800 | 0.83 | MAPK1 (0.65) | MAPK1ALDH1A1TP53MAPTHSD17B3 |
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-0701444-B1 | METHODS AND COMPOSITIONS FOR INDUCING SLEEP | PURDUE PHARMA LTD (US) | 2010-04-07 | — | — | EP | disclosed |
| EP-0808325-B1 | ANDROSTANE AND PREGNANE SERIES FOR ALLOSTERIC MODULATION OF GABA RECEPTOR | COCENSYS INC (US) | 2001-01-17 | — | — | EP | disclosed |
| WO-1996016076-A1 | ANDROSTANE AND PREGNANE SERIES FOR ALLOSTERIC MODULATION OF GABA RECEPTOR | COCENSYS, INC. (US) | 1996-05-30 | — | — | WO | disclosed |