Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.41 |
| ▸ | RXRA | P19793 | 2/20 | 0.41 |
| ▸ | PPARG | P37231 | 2/20 | 0.41 |
| ▸ | OXER1 | Q8TDS5 | 2/20 | 0.41 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | EPHX2 | P34913 | 3/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | TBXAS1 | P24557 | 2/20 | 0.39 |
| ▸ | FAAH | O00519 | 1/20 | 0.39 |
| ▸ | CNR1 | P21554 | 1/20 | 0.39 |
| ▸ | CNR2 | P34972 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 2/20 | 0.39 |
| ▸ | F7 | P08709 | 1/20 | 0.39 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.39 |
| ▸ | F3 | P13726 | 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 | |
|---|---|---|---|---|
| SCHEMBL1716761 | 1.00 | CYP2C19 (0.49) | CYP2C19ALDH1A1MAPTCYP19A1RXRA | |
| SCHEMBL1716759 | 1.00 | CYP2C19 (0.49) | CYP2C19ALDH1A1MAPTCYP19A1RXRA | |
| SCHEMBL10533521 | 0.90 | CYP2C19 (0.49) | CYP2C19ALDH1A1LMNAHSD17B10SMN1; SMN2 | |
| SCHEMBL10533515 | 0.90 | CYP2C19 (0.49) | CYP2C19ALDH1A1LMNAHSD17B10SMN1; SMN2 | |
| SCHEMBL11299019 | 0.85 | CYP2C19 (0.47) | CYP2C19LMNAHSD17B10SMN1; SMN2TBXAS1 | |
| SCHEMBL6907407 | 0.83 | CYP2C19 (0.61) | CYP2C19ALDH1A1LMNAHSD17B10SMN1; SMN2 | |
| SCHEMBL10519429 | 0.79 | POLB (0.43) | MAPTPPARGLMNASMN1; SMN2POLB | |
| SCHEMBL10519437 | 0.79 | POLB (0.43) | MAPTPPARGLMNASMN1; SMN2POLB | |
| SCHEMBL11546369 | 0.79 | CYP2C19 (0.55) | CYP2C19ALDH1A1LMNASMN1; SMN2TBXAS1 | |
| SCHEMBL11301686 | 0.78 | CYP2D6 (0.46) | CYP2C19ALDH1A1MAPTCYP19A1RXRA |
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-0068739-B1 | SULPHUR-CONTAINING 5-HYDROXY-ALKANOIC ACID DERIVATIVES, THEIR USE AS PHARMACEUTICAL PREPARATIONS AND PROCESS FOR THEIR PRODUCTION | Lilly Industries Limited (GB) | 1984-11-14 | — | — | EP | disclosed |