Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.60 |
| ▸ | L3MBTL1 | Q9Y468 | 4/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.53 |
| ▸ | MAPT | P10636 | 3/20 | 0.53 |
| ▸ | HPGD | P15428 | 2/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.53 |
| ▸ | LMNA | P02545 | 2/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.51 |
| ▸ | MEN1 | O00255 | 5/20 | 0.50 |
| ▸ | NPC1 | O15118 | 2/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.48 |
| ▸ | CES1 | P23141 | 1/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL6502449 | 1.00 | TSHR (0.60) | TSHRL3MBTL1ALDH1A1MAPTHPGD | |
| SCHEMBL10509321 | 0.89 | TSHR (0.55) | TSHRL3MBTL1ALDH1A1MAPTHPGD | |
| SCHEMBL26794544 | 0.85 | TSHR (0.52) | TSHRL3MBTL1ALDH1A1MAPTHPGD | |
| SCHEMBL10420172 | 0.85 | TSHR (0.52) | TSHRL3MBTL1ALDH1A1MAPTHPGD | |
| SCHEMBL135355 | 0.80 | L3MBTL1 (0.66) | TSHRL3MBTL1ALDH1A1MAPTHPGD | |
| SCHEMBL2026026 | 0.79 | TSHR (0.63) | TSHRL3MBTL1ALDH1A1MAPTHPGD | |
| SCHEMBL9799560 | 0.79 | TSHR (0.63) | TSHRL3MBTL1ALDH1A1MAPTHPGD | |
| SCHEMBL5194137 | 0.78 | TSHR (0.57) | TSHRL3MBTL1ALDH1A1MAPTHPGD | |
| SCHEMBL2026600 | 0.78 | TSHR (0.61) | TSHRL3MBTL1ALDH1A1MAPTHPGD | |
| SCHEMBL2949251 | 0.78 | TSHR (0.61) | TSHRL3MBTL1ALDH1A1MAPTHPGD |
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 |
|---|---|---|---|---|---|---|---|
| EP-1369410-A1 | Process for the stereoselective reduction of derivatives of 4-aryl-4-oxobutyric acid | BAYER AG (DE) | 2003-12-10 | — | — | EP | disclosed |