Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.51 |
| ▸ | HTT | P42858 | 2/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.46 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.46 |
| ▸ | RGS12 | O14924 | 1/20 | 0.46 |
| ▸ | GLA | P06280 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | PKM | P14618 | 1/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.46 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.46 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.46 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.46 |
| ▸ | HTR2A | P28223 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | THPO | P40225 | 1/20 | 0.46 |
| ▸ | GNAI1 | P63096 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL11356631 | 0.89 | ALDH1A1 (0.55) | ALDH1A1HTTCYP3A4TSHRCHRM2 | |
| SCHEMBL14224817 | 0.87 | CYP3A4 (0.53) | ALDH1A1HTTCYP3A4TSHRCHRM2 | |
| SCHEMBL186191 | 0.87 | CYP3A4 (0.53) | ALDH1A1HTTCYP3A4TSHRCHRM2 | |
| SCHEMBL14541701 | 0.87 | CYP3A4 (0.53) | ALDH1A1HTTCYP3A4TSHRCHRM2 | |
| Hydrochloric Acid SCHEMBL68364 | 0.85 | KMT2A (0.55) | ALDH1A1HTTCYP3A4TSHRCHRM2 | |
| Mucic Acid SCHEMBL15509436 | 0.82 | ALDH1A1 (0.49) | ALDH1A1HTTCYP3A4TSHRCHRM2 | |
| SCHEMBL14771681 | 0.81 | CYP3A4 (0.46) | ALDH1A1HTTCYP3A4TSHRCHRM2 | |
| SCHEMBL14771672 | 0.81 | CYP3A4 (0.46) | ALDH1A1HTTCYP3A4TSHRCHRM2 | |
| Racephedrine SCHEMBL27752970 | 0.79 | ADRA2C (0.76) | ALDH1A1HTTCYP3A4TSHRCHRM2 | |
| SCHEMBL22394298 | 0.77 | CYP3A4 (0.49) | ALDH1A1HTTCYP3A4TSHRPKM |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1966127-A1 | CARBONYL ASYMMETRIC ALKYLATION | Sandoz AG (CH) | 2008-09-10 | — | — | EP | disclosed |
| WO-2007082771-A1 | CARBONYL ASYMMETRIC ALKYLATION | SANDOZ AG (CH) | 2007-07-26 | — | — | WO | disclosed |