Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | FPR1 | P21462 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | FAAH | O00519 | 4/20 | 0.36 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 3/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | PRNP | P04156 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.34 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.34 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL6238994 | 0.89 | HPGD (0.42) | TSHRHPGDKMT2AMAPTALDH1A1 | |
| SCHEMBL6232558 | 0.86 | HPGD (0.44) | TSHRHPGDKMT2AALDH1A1FPR1 | |
| SCHEMBL6236220 | 0.84 | TSHR (0.42) | TSHRHPGDKMT2AALDH1A1HSD17B10 | |
| SCHEMBL6240573 | 0.83 | HPGD (0.41) | TSHRHPGDKMT2AMAPTALDH1A1 | |
| SCHEMBL6242114 | 0.81 | TSHR (0.45) | TSHRHPGDKMT2AMAPTALDH1A1 | |
| SCHEMBL6903089 | 0.76 | KMT2A (0.46) | TSHRHPGDKMT2AHSD17B10HTT | |
| SCHEMBL10916650 | 0.75 | KMT2A (0.52) | TSHRHPGDKMT2AMAPTALDH1A1 | |
| SCHEMBL4753848 | 0.72 | KMT2A (0.49) | TSHRHPGDKMT2AMAPTALDH1A1 | |
| SCHEMBL5147553 | 0.71 | KMT2A (0.47) | TSHRHPGDKMT2AMAPTALDH1A1 | |
| SCHEMBL6155099 | 0.70 | MAPT (0.38) | TSHRHPGDKMT2AMAPTALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2005005375-A1 | METHOD FOR PRODUCING 4-CYANO-3-HYDROXYBUTYRIC ACID ESTERS | LANXESS DEUTSCHLAND GMBH (DE) | 2005-01-20 | — | — | WO | claimed |
| WO-2005005375-A1 | METHOD FOR PRODUCING 4-CYANO-3-HYDROXYBUTYRIC ACID ESTERS | LANXESS DEUTSCHLAND GMBH (DE) | 2005-01-20 | — | — | WO | disclosed |