Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.57 |
| ▸ | MAPT | P10636 | 2/20 | 0.57 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.57 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.57 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.57 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.57 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.57 |
| ▸ | BCHE | P06276 | 4/20 | 0.57 |
| ▸ | POLB | P06746 | 1/20 | 0.55 |
| ▸ | GAA | P10253 | 2/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.53 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.51 |
| ▸ | LTB4R | Q15722 | 1/20 | 0.50 |
| ▸ | LTB4R2 | Q9NPC1 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 1/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.50 |
| ▸ | LTA4H | P09960 | 1/20 | 0.50 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.50 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL9685334 | 1.00 | ALDH1A1 (0.57) | ALDH1A1MAPTCYP1A2CYP2D6CYP2C9 | |
| SCHEMBL9684151 | 0.89 | POLB (0.54) | ALDH1A1MAPTCYP1A2CYP2D6CYP2C9 | |
| SCHEMBL9684147 | 0.89 | POLB (0.54) | ALDH1A1MAPTCYP1A2CYP2D6CYP2C9 | |
| SCHEMBL8758147 | 0.89 | BCHE (0.71) | ALDH1A1MAPTCYP1A2CYP2D6CYP2C9 | |
| SCHEMBL27299325 | 0.85 | ALDH1A1 (0.71) | ALDH1A1MAPTCYP1A2CYP2D6CYP2C9 | |
| SCHEMBL7694701 | 0.85 | ALDH1A1 (0.64) | ALDH1A1MAPTCYP1A2CYP2D6CYP2C9 | |
| SCHEMBL7694702 | 0.85 | ALDH1A1 (0.64) | ALDH1A1MAPTCYP1A2CYP2D6CYP2C9 | |
| SCHEMBL7689571 | 0.81 | ALDH1A1 (0.63) | ALDH1A1MAPTCYP1A2CYP2D6CYP2C9 | |
| SCHEMBL27301728 | 0.81 | ALDH1A1 (0.66) | ALDH1A1MAPTCYP1A2CYP2D6CYP2C9 | |
| SCHEMBL9330103 | 0.81 | ALDH1A1 (0.69) | ALDH1A1MAPTCYP1A2CYP2D6CYP2C9 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5166218-A | Antilipemic agents or antiglycemic agents | HOFFMANN-LA ROCHE INC. (US) | 1992-11-24 | — | — | US | disclosed |
| US-5064863-A | Catabolic activity, obesity, diabetes | HOFFMANN-LA ROCHE INC. (US) | 1991-11-12 | — | — | US | disclosed |
| EP-0140243-A2 | Phenoxypropanol amines | F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) | 1985-05-08 | — | — | EP | disclosed |