Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.54 |
| ▸ | GAA | P10253 | 2/20 | 0.54 |
| ▸ | MGAM | O43451 | 1/20 | 0.54 |
| ▸ | SI | P14410 | 1/20 | 0.54 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.40 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.40 |
| ▸ | PGR | P06401 | 1/20 | 0.40 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.40 |
| ▸ | PDE4D | Q08499 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL19127030 | 0.98 | TSHR (0.52) | TSHRGAAMGAMSIMGAM2 | |
| SCHEMBL6138808 | 0.92 | GAA (0.58) | TSHRGAAMGAMSIMGAM2 | |
| SCHEMBL9958801 | 0.90 | GAA (0.56) | TSHRGAAMGAMSIMGAM2 | |
| SCHEMBL28065008 | 0.90 | GAA (0.56) | TSHRGAAMGAMSIMGAM2 | |
| SCHEMBL4476235 | 0.90 | GAA (0.61) | TSHRGAAMGAMSIMGAM2 | |
| SCHEMBL6303688 | 0.90 | GAA (0.61) | TSHRGAAMGAMSIMGAM2 | |
| SCHEMBL1223746 | 0.88 | GAA (0.58) | TSHRGAAMGAMSIMGAM2 | |
| SCHEMBL8780916 | 0.88 | GAA (0.58) | TSHRGAAMGAMSIMGAM2 | |
| SCHEMBL674389 | 0.87 | TSHR (0.64) | TSHRGAAMGAMSIMGAM2 | |
| SCHEMBL9118224 | 0.87 | TSHR (0.64) | TSHRGAAMGAMSIMGAM2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6229042-B1 | INTERMEDIATES FOR THE SYNTHESIS OF ENANTIOMERICALLY PURE ALPHA-LIPOIC ACID; SAID HYDROGENATION INCLUDES PRESENCE OF RUTHENIUM-PHOSPHINE COMPLEX | ASTA MEDICA AKTIENGESELLSCHAFT (DE) | 2001-05-08 | — | — | US | disclosed |
| US-6013833-A | USING A CATALYST OF A COMPLEX OF RUTHENIUM AND AN OPTICALLY ACTIVE PHOSPHINE; PRODUCING (R)-3-HYDROXYOCTANEDIOIC ACID DIESTERS AS CHEMICAL INTERMEDIATES OF ALPHA-LIPOIC ACID | ASTA MEDICA AKTIENGESELLSCHAFT (DE) | 2000-01-11 | — | — | US | disclosed |
| EP-0863125-A1 | Process for the preparation of enantiomerically pure diesters of 3-hydroxyoctandioic acid by asymmetric catalytic hydrogenation | ASTA Medica Aktiengesellschaft (DE) | 1998-09-09 | — | — | EP | disclosed |
| US-5530143-A | REDUCTION OF (3S)-3-HYDROXYOCTANEDIOIC DIESTER WITH COMPLEX HYDRIDE | BASF AKTIENGESELLSCHAFT (DE) | 1996-06-25 | — | — | US | disclosed |