Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | NOS3 | P29474 | 1/20 | 0.31 |
| ▸ | NOS1 | P29475 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | NOS2 | P35228 | 1/20 | 0.31 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.30 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.30 |
| ▸ | PRSS3 | P35030 | 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 | |
|---|---|---|---|---|
| Ether SCHEMBL300500 | 0.80 | — | — | |
| Biguanide SCHEMBL27671000 | 0.77 | TSHR (0.40) | ALDH1A1CYP1A2CYP2D6TSHRNOS3 | |
| Biguanide SCHEMBL6050569 | 0.77 | NOS3 (0.39) | CYP1A2CYP2D6TSHRNOS3NOS1 | |
| Biguanide SCHEMBL28774142 | 0.77 | NOS3 (0.36) | CYP1A2CYP2D6TSHRNOS3NOS1 | |
| Biguanide SCHEMBL27622487 | 0.76 | — | — | |
| Biguanide SCHEMBL29001087 | 0.73 | ALOX15 (0.68) | ALDH1A1ALOX15CYP1A2TSHRCYP2C19 | |
| Biguanide SCHEMBL27454502 | 0.73 | — | — | |
| Biguanide SCHEMBL8039 | 0.72 | — | — | |
| Biguanide SCHEMBL18255803 | 0.72 | MAPK1 (0.31) | NOS3NOS1NOS2 | |
| Biguanide SCHEMBL25340958 | 0.72 | SPHK1 (0.52) | ALDH1A1TSHRNOS3NOS1NOS2 |
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-0456093-A2 | Biguanide derivatives and biocidal compositions containing them | H.B. FULLER LICENSING & FINANCING, INC. (US) | 1991-11-13 | — | — | EP | disclosed |