Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | ATM | Q13315 | 2/20 | 0.34 |
| ▸ | NAAA | Q02083 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 5/20 | 0.33 |
| ▸ | FDPS | P14324 | 3/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | SMPD1 | P17405 | 2/20 | 0.32 |
| ▸ | ESR1 | P03372 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.31 |
| ▸ | HTR2C | P28335 | 1/20 | 0.31 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL11697268 | 0.84 | ALDH1A1 (0.41) | ALDH1A1ATMMAPTL3MBTL1MEN1 | |
| Acetic Acid SCHEMBL11697282 | 0.84 | ALDH1A1 (0.41) | ALDH1A1ATMMAPTL3MBTL1MEN1 | |
| SCHEMBL28914772 | 0.84 | ALDH1A1 (0.39) | ALDH1A1ATMMAPTTSHRFDPS | |
| SCHEMBL28914773 | 0.84 | ALDH1A1 (0.39) | ALDH1A1ATMMAPTTSHRFDPS | |
| SCHEMBL10997913 | 0.72 | ODC1 (0.49) | ALDH1A1ATMMAPTTSHRFDPS | |
| Acetic Acid Butyl Ester SCHEMBL28846339 | 0.72 | ALDH1A1 (0.75) | ALDH1A1ATMNAAAMEN1KMT2A | |
| SCHEMBL9827643 | 0.71 | CYP4F2 (0.44) | ALDH1A1ATMNAAAMEN1KMT2A | |
| SCHEMBL5204094 | 0.70 | ALDH1A1 (0.44) | ALDH1A1ATMNAAAMAPTL3MBTL1 | |
| SCHEMBL4821457 | 0.70 | ALDH1A1 (0.40) | ALDH1A1ATMNAAAMAPTTSHR | |
| SCHEMBL5667475 | 0.70 | ACHE (0.41) | ALDH1A1ATMMAPTTSHRHPGD |
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-4038282-A | REACTING 4-PYRIDYLCARBINOL WITH SUCCINIMIDO-CHLOROFORMATE | MERCK & CO., INC. (US) | 1977-07-26 | — | — | US | disclosed |
| US-4006152-A | PEPTIDE INTERMEDIATE | MERCK & CO., INC. (US) | 1977-02-01 | — | — | US | disclosed |
| US-3950348-A | INTERMEDIATE FOR PEPTIDES | MERCK & CO., INC. (US) | 1976-04-13 | — | — | US | disclosed |