Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | POLB | P06746 | 2/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | TP53 | P04637 | 2/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | FAAH | O00519 | 1/20 | 0.32 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.32 |
| ▸ | BLM | P54132 | 2/20 | 0.32 |
| ▸ | PMP22 | Q01453 | 2/20 | 0.32 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | GMNN | O75496 | 1/20 | 0.32 |
| ▸ | USP2 | O75604 | 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 | |
|---|---|---|---|---|
| SCHEMBL1060951 | 0.91 | TSHR (0.50) | TSHRCYP1A2ALDH1A1POLBKMT2A | |
| Hydrochloric Acid SCHEMBL28548594 | 0.88 | TSHR (0.48) | TSHRCYP1A2BLMSLC22A6KDM4E | |
| SCHEMBL15700014 | 0.86 | — | — | |
| SCHEMBL275122 | 0.85 | TSHR (0.43) | TSHRCYP1A2ALDH1A1KMT2AMEN1 | |
| SCHEMBL2180897 | 0.82 | DGKA (0.42) | TSHRCYP1A2ALDH1A1KMT2AMEN1 | |
| SCHEMBL1065353 | 0.82 | DGKA (0.42) | TSHRCYP1A2ALDH1A1KMT2AMEN1 | |
| SCHEMBL9593713 | 0.82 | DGKA (0.42) | TSHRCYP1A2ALDH1A1KMT2AMEN1 | |
| SCHEMBL1064431 | 0.82 | DGKA (0.42) | TSHRCYP1A2ALDH1A1KMT2AMEN1 | |
| SCHEMBL515782 | 0.82 | DGKA (0.42) | TSHRCYP1A2ALDH1A1KMT2AMEN1 | |
| SCHEMBL9593894 | 0.82 | DGKA (0.42) | TSHRCYP1A2ALDH1A1KMT2AMEN1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2007139933-A2 | PROCESSES FOR THE PREPARATION OF R-(+)-3-(CARBAMOYL METHYL)-5-METHYLHEXANOIC ACID AND SALTS THEREOF | TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) | 2007-12-06 | — | — | WO | disclosed |