Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.56 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.56 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.56 |
| ▸ | LMNA | P02545 | 5/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.54 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.53 |
| ▸ | MEN1 | O00255 | 3/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.52 |
| ▸ | MAPT | P10636 | 1/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.50 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
| ▸ | LTA4H | P09960 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL19912955 | 0.98 | ALDH1A1 (0.58) | ALDH1A1MAPK1L3MBTL1LMNAKDM4E | |
| SCHEMBL10030999 | 0.95 | ALDH1A1 (0.58) | ALDH1A1MAPK1L3MBTL1LMNAKDM4E | |
| Ethylene Glycol SCHEMBL27864368 | 0.94 | ALDH1A1 (0.53) | ALDH1A1MAPK1L3MBTL1LMNAKDM4E | |
| SCHEMBL7355592 | 0.91 | ALDH1A1 (0.63) | ALDH1A1MAPK1L3MBTL1LMNAKDM4E | |
| SCHEMBL4941879 | 0.91 | ALDH1A1 (0.66) | ALDH1A1MAPK1L3MBTL1LMNAEPHX2 | |
| SCHEMBL28600680 | 0.91 | ALDH1A1 (0.66) | ALDH1A1MAPK1L3MBTL1LMNAEPHX2 | |
| SCHEMBL2926392 | 0.91 | ALDH1A1 (0.66) | ALDH1A1MAPK1L3MBTL1LMNAEPHX2 | |
| SCHEMBL20624816 | 0.91 | ALDH1A1 (0.66) | ALDH1A1MAPK1L3MBTL1LMNAEPHX2 | |
| SCHEMBL28434793 | 0.91 | ALDH1A1 (0.66) | ALDH1A1MAPK1L3MBTL1LMNAEPHX2 | |
| SCHEMBL118235 | 0.91 | ALDH1A1 (0.66) | ALDH1A1MAPK1L3MBTL1LMNAEPHX2 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102827030-A | Preparation method of (3R,5R)-3,5-dihydroxy-6-methyl cyan-caproate | UNIV FUDAN | 2012-12-19 | — | — | CN | disclosed |
| US-5652247-A | VASOPRESSIN ANTAGONIST | OTSUKA PHARMACEUTICAL CO., LTD (JP) | 1997-07-29 | — | — | US | disclosed |
| US-5436254-A | Vaopressin antagonists | OTSUKA PHARMACEUTICAL COMPANY, LTD. (JP) | 1995-07-25 | — | — | US | disclosed |
| EP-0382185-B1 | Carbostyril derivatives | OTSUKA PHARMA CO LTD (JP) | 1994-06-15 | — | — | EP | disclosed |
| US-5225402-A | Vasopressin antagonist, vasodilation, hypotensive, diuretics and anticoagulants | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1993-07-06 | — | — | US | disclosed |
| EP-0382185-A2 | Carbostyril derivatives | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1990-08-16 | — | — | EP | disclosed |