Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 3/20 | 0.52 |
| ▸ | NOS2 | P35228 | 3/20 | 0.52 |
| ▸ | NOS1 | P29475 | 2/20 | 0.52 |
| ▸ | BACE1 | P56817 | 2/20 | 0.48 |
| ▸ | NCK1 | P16333 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.43 |
| ▸ | MAPT | P10636 | 3/20 | 0.43 |
| ▸ | NPC1 | O15118 | 3/20 | 0.43 |
| ▸ | RAB9A | P51151 | 3/20 | 0.43 |
| ▸ | HPGD | P15428 | 3/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.40 |
| ▸ | FGFR2 | P21802 | 1/20 | 0.40 |
| ▸ | CTSD | P07339 | 1/20 | 0.39 |
| ▸ | GABRP | O00591 | 1/20 | 0.39 |
| ▸ | GABRD | O14764 | 1/20 | 0.39 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.39 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.39 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL19390798 | 0.81 | ESR2 (0.55) | NOS3NOS2NOS1ALDH1A1KDM4E | |
| SCHEMBL4488580 | 0.81 | NOS3 (0.48) | NOS3NOS2NOS1BACE1NCK1 | |
| SCHEMBL17178279 | 0.79 | NCF1 (0.51) | NOS3NOS2NOS1ALDH1A1KDM4E | |
| SCHEMBL4581787 | 0.76 | NOS3 (0.50) | NOS3NOS2NOS1BACE1NCK1 | |
| SCHEMBL31547677 | 0.76 | TDP1 (0.52) | ALDH1A1MAPTNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL3043421 | 0.76 | TDP1 (0.52) | ALDH1A1MAPTNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL11438697 | 0.75 | DRD1 (0.39) | NOS3NOS2NOS1BACE1NCK1 | |
| SCHEMBL17174290 | 0.75 | NOS3 (0.42) | NOS3NOS2NOS1BACE1KDM4E | |
| SCHEMBL4581864 | 0.74 | RAB9A (0.51) | NOS3NOS2NOS1BACE1NCK1 | |
| SCHEMBL4496629 | 0.73 | NOS3 (0.52) | NOS3NOS2NOS1BACE1NPC1 |
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-3323821-A1 | HETEROAROMATIC COMPOUNDS AND THEIR USE AS DOPAMINE D1 LIGANDS | Pfizer Inc (US) | 2018-05-23 | — | — | EP | disclosed |