Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.67 |
| ▸ | LMNA | P02545 | 3/20 | 0.57 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.57 |
| ▸ | THRB | P10828 | 1/20 | 0.57 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.57 |
| ▸ | POLB | P06746 | 1/20 | 0.57 |
| ▸ | P4HB | P07237 | 1/20 | 0.56 |
| ▸ | PDIA4 | P13667 | 1/20 | 0.56 |
| ▸ | PDIA3 | P30101 | 1/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL16847689 | 1.00 | TSHR (0.67) | TSHRLMNACYP2D6THRBHSD17B10 | |
| SCHEMBL4609421 | 1.00 | TSHR (0.67) | TSHRLMNACYP2D6THRBHSD17B10 | |
| SCHEMBL313492 | 1.00 | TSHR (0.67) | TSHRLMNACYP2D6THRBHSD17B10 | |
| SCHEMBL29307027 | 1.00 | TSHR (0.67) | TSHRLMNACYP2D6THRBHSD17B10 | |
| SCHEMBL7694820 | 1.00 | TSHR (0.67) | TSHRLMNACYP2D6THRBHSD17B10 | |
| SCHEMBL24598883 | 1.00 | TSHR (0.67) | TSHRLMNACYP2D6THRBHSD17B10 | |
| SCHEMBL4609383 | 1.00 | TSHR (0.67) | TSHRLMNACYP2D6THRBHSD17B10 | |
| SCHEMBL14127623 | 0.93 | TSHR (0.61) | TSHRLMNAALDH1A1POLBKMT2A | |
| SCHEMBL23457452 | 0.93 | TSHR (0.61) | TSHRLMNAALDH1A1POLBKMT2A | |
| SCHEMBL22903083 | 0.90 | TSHR (0.57) | TSHRLMNACYP2D6THRBHSD17B10 |
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 |
|---|---|---|---|---|---|---|---|
| US-6339162-B1 | SOLVOLYSIS OF 4-ACETYLOXYPHENYL-ACETYL-.BETA.-D-GLUCOPYRANOSIDE DERIVATIVE, NEUTRALIZATION WITH ACID, CRYSTALLIZATION OF ARBUTIN OR ITS DERIVATIVE | NISSHIN PHARMA INC. (JP) | 2002-01-15 | — | — | US | disclosed |
| EP-1043321-A1 | Process for the preparation of tetrahydropyran derivatives | Nisshin Flour Milling Co., Ltd. (JP) | 2000-10-11 | — | — | EP | disclosed |