Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | CA9 | Q16790 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 2/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | DRD2 | P14416 | 1/20 | 0.31 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.31 |
| ▸ | DRD1 | P21728 | 1/20 | 0.31 |
| ▸ | DRD4 | P21917 | 1/20 | 0.31 |
| ▸ | DRD5 | P21918 | 1/20 | 0.31 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.31 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.31 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.31 |
| ▸ | DRD3 | P35462 | 1/20 | 0.31 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | CYP51A1 | Q16850 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL3106147 | 0.80 | ALDH1A1 (0.33) | ALDH1A1RAB9ACA12CA2CA9 | |
| SCHEMBL8780308 | 0.80 | ALDH1A1 (0.33) | ALDH1A1RAB9ACA12CA2CA9 | |
| SCHEMBL8780307 | 0.79 | TSHR (0.33) | ALDH1A1TSHRCYP2D6 | |
| SCHEMBL1010512 | 0.79 | TSHR (0.40) | ALDH1A1RAB9ACA12CA2CA9 | |
| SCHEMBL8780346 | 0.78 | LMNA (0.38) | ALDH1A1RAB9ACA12CA2CA9 | |
| SCHEMBL5430728 | 0.76 | ALDH1A1 (0.42) | ALDH1A1RAB9ACA12CA2CA9 | |
| SCHEMBL18427267 | 0.75 | TSHR (0.36) | ALDH1A1RAB9ACA12CA2CA9 | |
| SCHEMBL19774701 | 0.75 | TSHR (0.36) | ALDH1A1RAB9ACA12CA2CA9 | |
| SCHEMBL8780318 | 0.75 | PLA2G1B (0.39) | ALDH1A1CA12CA9TSHRCYP3A4 | |
| SCHEMBL17310382 | 0.74 | CYP1A2 (0.39) | CA12CA2CA9TSHR |
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-0601668-B1 | Epoxy resin composition | SHELL INT RESEARCH (NL) | 1997-03-19 | — | — | EP | disclosed |
| EP-0601668-A2 | Epoxy resin composition | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1994-06-15 | — | — | EP | disclosed |