Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NQO1 | P15559 | 1/20 | 0.32 |
| ▸ | GSTP1 | P09211 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL9057236 | 0.97 | NQO1 (0.33) | NQO1GSTP1CYP2D6NPC1RAB9A | |
| SCHEMBL29486506 | 0.78 | — | — | |
| SCHEMBL30753234 | 0.78 | — | — | |
| SCHEMBL1160393 | 0.76 | NQO1 (0.31) | NQO1 | |
| SCHEMBL10782968 | 0.76 | GSTP1 (0.32) | NQO1GSTP1NPC1RAB9A | |
| SCHEMBL3309437 | 0.76 | GRIN2D (0.34) | NQO1GSTP1NPC1RAB9A | |
| Hydrochloric Acid SCHEMBL7589943 | 0.75 | NQO1 (0.33) | NQO1 | |
| SCHEMBL8523526 | 0.74 | CYP2D6 (0.42) | CYP2D6 | |
| SCHEMBL7742245 | 0.73 | CES1 (0.37) | NQO1 | |
| SCHEMBL7742202 | 0.73 | ALDH1A1 (0.35) | NQO1GSTP1CYP2D6RAB9A |
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 |
|---|---|---|---|---|---|---|---|
| CN-1072172-A | Novel 7-replacement-9-substituted-amino-6-demethyl-6-deoxidation tsiklomitsin | AMERICAN CYANAMID CO (US) | 1993-05-19 | — | — | CN | disclosed |