Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.41 |
| ▸ | PPARA | Q07869 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 2/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.30 |
| ▸ | MMP8 | P22894 | 1/20 | 0.30 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL7207337 | 0.91 | ALDH1A1 (0.44) | ALDH1A1KDM4EL3MBTL1TSHRLMNA | |
| SCHEMBL14899077 | 0.86 | ALDH1A1 (0.41) | ALDH1A1KDM4EL3MBTL1LMNAHSD17B10 | |
| SCHEMBL8028102 | 0.84 | ALDH1A1 (0.40) | ALDH1A1KDM4EL3MBTL1SMN1; SMN2LMNA | |
| SCHEMBL26931962 | 0.83 | ALDH1A1 (0.41) | ALDH1A1L3MBTL1TSHRLMNANPSR1 | |
| SCHEMBL6289946 | 0.82 | ALDH1A1 (0.35) | ALDH1A1PPARAKDM4EL3MBTL1SMN1; SMN2 | |
| SCHEMBL7208896 | 0.81 | NPSR1 (0.33) | ALDH1A1SMN1; SMN2TSHRLMNANPSR1 | |
| SCHEMBL9637790 | 0.81 | ALDH1A1 (0.40) | ALDH1A1KDM4EL3MBTL1LMNAHSD17B10 | |
| SCHEMBL8670866 | 0.80 | CYP2C19 (0.38) | ALDH1A1SMN1; SMN2TSHRLMNA | |
| SCHEMBL6287567 | 0.80 | ALDH1A1 (0.33) | ALDH1A1PPARAL3MBTL1SMN1; SMN2TSHR | |
| SCHEMBL2862637 | 0.77 | KDM4E (0.32) | ALDH1A1PPARAKDM4ESMN1; SMN2TSHR |
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-6613934-B1 | Enzymatic partial hydrolysis of a diester of malonic acid | DEGUSSA AG (DE) | 2003-09-02 | — | — | US | claimed |
| EP-1559710-B1 | Dipeptidyl peptidase IV inhibitors based on cyclopropyl-fused pyrrolidine, process for their preparation and their use | BRISTOL MYERS SQUIBB CO (US) | 2014-02-26 | — | — | EP | disclosed |
| US-RE44186-E1 | Cyclopropyl-fused pyrrolidine-based inhibitors of dipeptidyl peptidase IV and method | BRISTOL-MYERS SQUIBB COMPANY (US) | 2013-04-30 | — | — | US | disclosed |
| EP-1261586-B1 | CYCLOPROPYL-FUSED PYRROLIDINE-BASED INHIBITORS OF DIPEPTIDYL PEPTIDASE IV, PROCESSES FOR THEIR PREPARATION, AND THEIR USE | BRISTOL MYERS SQUIBB CO (US) | 2008-05-21 | — | — | EP | disclosed |