Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH5A1 | P51649 | 1/20 | 0.43 |
| ▸ | ABAT | P80404 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.38 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 4/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.36 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.36 |
| ▸ | EGFR | P00533 | 1/20 | 0.35 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.35 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.35 |
| ▸ | TYR | P14679 | 1/20 | 0.34 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL1124751 | 0.75 | ALDH5A1 (0.52) | ALDH5A1ABATALDH1A1KDM4ECYP2A6 | |
| Benzaldehyde SCHEMBL29234651 | 0.74 | ALDH1A1 (0.64) | ALDH5A1ABATALDH1A1KDM4ECYP2A6 | |
| SCHEMBL3026921 | 0.74 | HSD17B10 (0.46) | ALDH5A1ABATALDH1A1KDM4EEPHX2 | |
| Benzaldehyde SCHEMBL2865691 | 0.74 | ALDH1A1 (0.64) | ALDH5A1ABATALDH1A1KDM4ECYP2A6 | |
| SCHEMBL2646831 | 0.74 | ESR1 (0.52) | ALDH5A1ABATALDH1A1KDM4EEPHX2 | |
| SCHEMBL6536342 | 0.74 | CYP2A6 (0.41) | ALDH5A1ABATALDH1A1KDM4EEPHX2 | |
| SCHEMBL10552360 | 0.73 | EGFR (0.43) | ALDH5A1ABATALDH1A1KDM4EEPHX2 | |
| SCHEMBL30378831 | 0.72 | EPHX2 (0.43) | ALDH5A1ABATALDH1A1KDM4EEPHX2 | |
| SCHEMBL3976211 | 0.71 | CYP2A6 (0.52) | ALDH5A1ABATALDH1A1KDM4ECYP2A6 | |
| SCHEMBL14935121 | 0.71 | SLC6A4 (0.50) | ALDH1A1CYP2A6LMNAMAPTKMT2A |
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 |
|---|---|---|---|---|---|---|---|
| EP-1115729-B1 | PHOSPHONIC ACID DERIVATIVES AS INHIBITORS OF PTP-1B | MERCK FROSST CANADA INC (CA) | 2003-02-19 | — | — | EP | disclosed |
| EP-1115729-A1 | PHOSPHONIC ACID DERIVATIVES AS INHIBITORS OF PTP-1B | Merck Frosst Canada & Co. (CA) | 2001-07-18 | — | — | EP | disclosed |
| US-6174874-B1 | ANTIDIABETIC,-CARCINOGENIC AGENTS; IMPROVING GLUCOSE TOLERANCE/INSULIN-SENSITIVITY; PREVENTING/TREATING OBESITY AND NEURODEGENERATIVE DISEASES; E.G. 1,3-BIS-((PHOSPHONODI-FLUOROMETHYL)PHENYL)-2-DICARBOXYPROPANE | MERCK FROSST CANADA & CO. (CA) | 2001-01-16 | — | — | US | disclosed |
| WO-2000017211-A1 | PHOSPHONIC ACIDS DERIVATIVES AS INHIBITORS OF PTP-1B | MERCK FROSST CANADA & CO. (CA) | 2000-03-30 | — | — | WO | disclosed |