Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS1 | P29475 | 1/20 | 0.54 |
| ▸ | BACE1 | P56817 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | MAPT | P10636 | 4/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.42 |
| ▸ | NPC1 | O15118 | 3/20 | 0.42 |
| ▸ | RAB9A | P51151 | 3/20 | 0.42 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.42 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.40 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 2/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.37 |
| ▸ | THRB | P10828 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | RECQL | P46063 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL21242477 | 0.85 | NOS1 (0.55) | NOS1BACE1ALDH1A1MAPTSMN1; SMN2 | |
| SCHEMBL10442596 | 0.85 | HCAR2 (0.46) | NOS1BACE1ADORA2AHCAR2PIK3CD | |
| SCHEMBL20175445 | 0.76 | HCAR2 (0.40) | NOS1MAPTNPC1RAB9AADORA2A | |
| SCHEMBL21242243 | 0.73 | BACE1 (0.44) | NOS1BACE1ALDH1A1MAPTSMN1; SMN2 | |
| SCHEMBL10442133 | 0.73 | NPC1 (0.39) | NOS1ALDH1A1MAPTSMN1; SMN2NPC1 | |
| SCHEMBL19685720 | 0.73 | HCAR2 (0.38) | ADORA2AHCAR2PIK3CDPIK3CBPIK3CG | |
| SCHEMBL19730877 | 0.72 | APP (0.50) | ALDH1A1MAPTSMN1; SMN2NPC1RAB9A | |
| SCHEMBL21242190 | 0.72 | ALDH1A1 (0.46) | NOS1BACE1ALDH1A1MAPTSMN1; SMN2 | |
| SCHEMBL3500308 | 0.72 | CSNK2A1 (0.59) | NOS1BACE1ALDH1A1MAPTSMN1; SMN2 | |
| SCHEMBL29520452 | 0.71 | PIK3CG (0.38) | NOS1BACE1ADORA2AHCAR2PIK3CD |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3306690-A1 | ORGANIC SEMICONDUCTING COMPOUNDS | Merck Patent GmbH (DE) | 2018-04-11 | — | — | EP | disclosed |