Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL28502831 | 0.81 | — | — | |
| SCHEMBL28504003 | 0.80 | — | — | |
| Water SCHEMBL11423986 | 0.79 | MIF (0.33) | — | |
| SCHEMBL7598480 | 0.78 | KIF11 (0.30) | — | |
| SCHEMBL692188 | 0.71 | CYP1A2 (0.33) | — | |
| SCHEMBL9614996 | 0.71 | CYP2C19 (0.41) | CYP2C19ALDH1A1TSHRHTTSMN1; SMN2 | |
| Water SCHEMBL11441164 | 0.70 | CYP2D6 (0.33) | — | |
| SCHEMBL5694065 | 0.70 | MIF (0.31) | — | |
| SCHEMBL7405625 | 0.68 | CYP2C19 (0.47) | CYP2C19ALDH1A1TSHRSMN1; SMN2 | |
| SCHEMBL7263935 | 0.68 | CYP2C19 (0.47) | CYP2C19ALDH1A1TSHRSMN1; SMN2 |
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-0507792-A1 | USE OF REACTION MIXTURES CONTAINING POLYESTER POLYOLS IN THE PRODUCTION OF SOLID POLYURETHANE MATERIALS BY CASTING. | HENKEL KGAA (DE) | 1992-10-14 | — | — | EP | disclosed |
| WO-1991009894-A1 | USE OF REACTION MIXTURES CONTAINING POLYESTER POLYOLS IN THE PRODUCTION OF SOLID POLYURETHANE MATERIALS BY CASTING | HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) | 1991-07-11 | — | — | WO | disclosed |