Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 1/20 | 0.77 |
| ▸ | MAPT | P10636 | 2/20 | 0.57 |
| ▸ | GAA | P10253 | 1/20 | 0.57 |
| ▸ | SLC5A1 | P13866 | 1/20 | 0.57 |
| ▸ | SLC5A2 | P31639 | 1/20 | 0.57 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.55 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.55 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.53 |
| ▸ | HPGD | P15428 | 2/20 | 0.53 |
| ▸ | TSHR | P16473 | 2/20 | 0.53 |
| ▸ | NPC1 | O15118 | 2/20 | 0.53 |
| ▸ | HTT | P42858 | 1/20 | 0.53 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.53 |
| ▸ | NLRP1 | Q9C000 | 1/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.50 |
| ▸ | ACHE | P22303 | 1/20 | 0.50 |
| ▸ | SGMS1 | Q86VZ5 | 1/20 | 0.50 |
| ▸ | SGMS2 | Q8NHU3 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| Dihydrochalcone SCHEMBL29359372 | 0.98 | CYP19A1 (0.80) | CYP19A1MAPTGAASLC5A1SLC5A2 | |
| Dihydrochalcone SCHEMBL2827303 | 0.98 | CYP19A1 (0.80) | CYP19A1MAPTGAASLC5A1SLC5A2 | |
| SCHEMBL1841587 | 0.87 | CYP19A1 (1.00) | CYP19A1MAPTGAASLC5A1SLC5A2 | |
| SCHEMBL5793080 | 0.87 | CYP19A1 (0.65) | CYP19A1MAPTALDH1A1HPGDTSHR | |
| SCHEMBL30358375 | 0.84 | CYP19A1 (0.71) | CYP19A1MAPTGAASLC5A1SLC5A2 | |
| SCHEMBL1733117 | 0.84 | CYP19A1 (0.71) | CYP19A1MAPTGAASLC5A1SLC5A2 | |
| SCHEMBL11880560 | 0.84 | ACHE (0.62) | CYP19A1MAPTGAASLC5A1SLC5A2 | |
| SCHEMBL10988386 | 0.84 | CYP19A1 (0.76) | CYP19A1MAPTGAASLC5A1SLC5A2 | |
| SCHEMBL3861193 | 0.84 | CYP19A1 (0.61) | CYP19A1MAPTGAASLC5A1SLC5A2 | |
| Hydrochloric Acid SCHEMBL3785617 | 0.83 | CYP19A1 (0.69) | CYP19A1MAPTGAASLC5A1SLC5A2 |
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-1204636-A1 | 3-OXOPROPANE-1-SULPHONIC ACIDS AND SULPHONATES | DSM N.V. (NL) | 2002-05-15 | — | — | EP | disclosed |
| WO-2001014327-A1 | 3-OXOPROPANE-1-SULPHONIC ACIDS AND SULPHONATES | DSM N.V. (NL) | 2001-03-01 | — | — | WO | disclosed |