Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.47 |
| ▸ | ESR1 | P03372 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.40 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.40 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL7208182 | 0.94 | ESR1 (0.46) | TSHRTDP1L3MBTL1ESR1ALDH1A1 | |
| SCHEMBL7212428 | 0.84 | PIN1 (0.46) | TSHRTDP1ESR1ALDH1A1HSD17B10 | |
| SCHEMBL7207418 | 0.79 | PIN1 (0.44) | TSHRTDP1L3MBTL1ESR1ALDH1A1 | |
| SCHEMBL10029779 | 0.75 | CHRM2 (0.66) | TSHRTDP1L3MBTL1ALDH1A1CYP3A4 | |
| SCHEMBL16732083 | 0.75 | TSHR (0.53) | TSHRTDP1L3MBTL1ALDH1A1CYP3A4 | |
| SCHEMBL14258113 | 0.75 | TSHR (0.53) | TSHRTDP1L3MBTL1ALDH1A1CYP3A4 | |
| SCHEMBL16732112 | 0.74 | TSHR (0.51) | TSHRTDP1L3MBTL1ALDH1A1CYP3A4 | |
| Tert-Butylbenzene SCHEMBL27666463 | 0.74 | ALDH1A1 (0.58) | TSHRTDP1L3MBTL1ESR1ALDH1A1 | |
| SCHEMBL28485015 | 0.74 | TSHR (0.51) | TSHRTDP1L3MBTL1ALDH1A1CYP3A4 | |
| SCHEMBL28324277 | 0.73 | TSHR (0.44) | TSHRTDP1L3MBTL1ALDH1A1CYP3A4 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6613934-B1 | Enzymatic partial hydrolysis of a diester of malonic acid | DEGUSSA AG (DE) | 2003-09-02 | — | — | US | disclosed |
| EP-0812819-B1 | Enantiomer-enriched tertiary hydrocarbonrest-substituted malonic acid ester and the preparation | DEGUSSA (DE) | 2001-11-28 | — | — | EP | disclosed |
| EP-0812819-A2 | Enantiomer-enriched tertiary hydrocarbonrest-substituted malonic acid ester and the preparation | HÜLS AKTIENGESELLSCHAFT (DE) | 1997-12-17 | — | — | EP | disclosed |