Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | CTSD | P07339 | 1/20 | 0.34 |
| ▸ | CTSL | P07711 | 1/20 | 0.34 |
| ▸ | CTSB | P07858 | 1/20 | 0.34 |
| ▸ | CTSS | P25774 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.33 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.33 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | TACR1 | P25103 | 2/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | RECQL | P46063 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL3738889 | 0.82 | CTSD (0.40) | ALDH1A1CYP3A4CYP2C19GAATSHR | |
| SCHEMBL9103905 | 0.80 | CYP3A4 (0.42) | ALDH1A1CYP3A4CYP2C19GAATSHR | |
| SCHEMBL4702765 | 0.80 | CYP3A4 (0.42) | ALDH1A1CYP3A4CYP2C19GAATSHR | |
| SCHEMBL4704578 | 0.77 | ALDH1A1 (0.37) | ALDH1A1CYP3A4CYP2C19GAATSHR | |
| SCHEMBL4706202 | 0.77 | CYP3A4 (0.39) | ALDH1A1CYP3A4CYP2C19GAATSHR | |
| SCHEMBL4703501 | 0.76 | ALDH1A1 (0.33) | ALDH1A1CYP3A4CYP2C19GAATSHR | |
| SCHEMBL4704282 | 0.72 | CHRM1 (0.44) | ALDH1A1TSHRHTTPOLBSMN1; SMN2 | |
| SCHEMBL4705390 | 0.72 | TSHR (0.46) | ALDH1A1TSHRSMN1; SMN2 | |
| SCHEMBL4706650 | 0.72 | CYP3A4 (0.43) | ALDH1A1CYP3A4CYP2C19GAATSHR | |
| SCHEMBL4702059 | 0.71 | OPRD1 (0.41) | ALDH1A1TSHRHTTHPGD |
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-1567489-B1 | PYRROLIDIN-2-ONE DERIVATIVES AS INHIBITORS OF THROMBIN AND FACTOR XA | GLAXO GROUP LTD (GB) | 2008-07-23 | — | — | EP | disclosed |