Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.50 |
| ▸ | ARG1 | P05089 | 1/20 | 0.37 |
| ▸ | ARG2 | P78540 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.35 |
| ▸ | MAPT | P10636 | 3/20 | 0.35 |
| ▸ | PAOX | Q6QHF9 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | POLB | P06746 | 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 | |
|---|---|---|---|---|
| Diethylaminoethanol SCHEMBL5027749 | 0.95 | CYP1A2 (0.45) | CYP1A2MAPK1CYP2C9HPGDHIF1A | |
| SCHEMBL35602 | 0.86 | — | — | |
| SCHEMBL23226889 | 0.83 | CYP1A2 (0.45) | CYP1A2MAPK1CYP2C9HPGDHIF1A | |
| Trolamine SCHEMBL2157541 | 0.83 | MAPT (0.39) | CYP1A2MAPK1CYP2C9HPGDHIF1A | |
| SCHEMBL7847332 | 0.83 | CYP1A2 (0.58) | CYP1A2MAPK1CYP2C9HPGDHIF1A | |
| Trolamine SCHEMBL11520004 | 0.83 | CYP1A2 (0.58) | CYP1A2MAPK1CYP2C9HPGDHIF1A | |
| Ammonia Solution, Strong SCHEMBL17091752 | 0.83 | CYP1A2 (0.58) | CYP1A2MAPK1CYP2C9HPGDHIF1A | |
| SCHEMBL30008162 | 0.83 | CYP1A2 (0.58) | CYP1A2MAPK1CYP2C9HPGDHIF1A | |
| Iodide SCHEMBL15392134 | 0.83 | CYP1A2 (0.58) | CYP1A2MAPK1CYP2C9HPGDHIF1A | |
| SCHEMBL3923168 | 0.83 | CYP1A2 (0.58) | CYP1A2MAPK1CYP2C9HPGDHIF1A |
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 |
|---|---|---|---|---|---|---|---|
| US-5763526-A | POLYURETHANES WITH ANIONIC AND CATIONIC GROUPS FOR COATING FILMS WITH ACID AND ALKALI RESISTANCE FOR DISPERSION STABILITY | NIPPON PAINT CO., LTD. (JP) | 1998-06-09 | — | — | US | disclosed |