Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.41 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
| ▸ | ATM | Q13315 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | RECQL | P46063 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | NAAA | Q02083 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | NOS3 | P29474 | 1/20 | 0.30 |
| ▸ | NOS2 | P35228 | 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 | |
|---|---|---|---|---|
| SCHEMBL4640870 | 0.84 | — | — | |
| SCHEMBL1078049 | 0.84 | ALDH1A1 (0.57) | ALDH1A1SOAT1GAAEPHX1HSD17B10 | |
| SCHEMBL8375449 | 0.79 | ALDH1A1 (0.50) | ALDH1A1SOAT1GAAEPHX1THRB | |
| SCHEMBL305155 | 0.79 | ALDH1A1 (0.50) | ALDH1A1SOAT1TSHRKMT2AEPHX1 | |
| SCHEMBL11591733 | 0.77 | EPHX1 (0.53) | ALDH1A1SOAT1TSHRKMT2AEPHX1 | |
| SCHEMBL3110206 | 0.77 | EPHX1 (0.53) | ALDH1A1SOAT1TSHRKMT2AEPHX1 | |
| SCHEMBL10620127 | 0.77 | DPP4 (0.36) | MEN1KMT2ACYP2D6 | |
| SCHEMBL4630680 | 0.77 | EPHX1 (0.53) | ALDH1A1SOAT1TSHRKMT2AEPHX1 | |
| SCHEMBL304231 | 0.77 | EPHX1 (0.53) | ALDH1A1SOAT1TSHRKMT2AEPHX1 | |
| SCHEMBL11593452 | 0.77 | EPHX1 (0.53) | ALDH1A1SOAT1TSHRKMT2AEPHX1 |
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-0639575-A1 | Bicyclic heterocycles, medicaments comprising these compounds and processes for their production | Dr. Karl Thomae GmbH (DE) | 1995-02-22 | — | — | EP | disclosed |
| WO-1992012218-A1 | PYRIMIDINECYCLOHEXANE DERIVATIVES, A METHOD OF PREPARING THEM AND THEIR USE IN LIQUID-CRYSTALLINE MIXTURES | HOECHST AKTIENGESELLSCHAFT (DE) | 1992-07-23 | — | — | WO | disclosed |