Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DPP4 | P27487 | 3/20 | 0.47 |
| ▸ | HSD17B3 | P37058 | 1/20 | 0.43 |
| ▸ | F10 | P00742 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | PNMT | P11086 | 2/20 | 0.41 |
| ▸ | PDK2 | Q15119 | 2/20 | 0.39 |
| ▸ | NOS3 | P29474 | 1/20 | 0.39 |
| ▸ | NOS1 | P29475 | 1/20 | 0.39 |
| ▸ | NOS2 | P35228 | 1/20 | 0.39 |
| ▸ | CSNK2A2 | P19784 | 1/20 | 0.38 |
| ▸ | CSNK2B | P67870 | 1/20 | 0.38 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.38 |
| ▸ | CSNK2A3 | Q8NEV1 | 1/20 | 0.38 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | PTGER1 | P34995 | 2/20 | 0.37 |
| ▸ | PTGER3 | P43115 | 2/20 | 0.37 |
| ▸ | PTGER2 | P43116 | 2/20 | 0.37 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL28055856 | 0.76 | DPP4 (0.58) | DPP4HSD17B3F10CYP2C19PNMT | |
| SCHEMBL5063471 | 0.74 | ESR2 (0.55) | MCL1MKNK1MKNK2 | |
| SCHEMBL27350322 | 0.72 | CHUK (0.49) | DPP4MCL1KDM4EMAPT | |
| SCHEMBL19119977 | 0.71 | ALDH1A1 (0.48) | DPP4PNMTKDM4EMAPT | |
| SCHEMBL5381730 | 0.71 | PTGER1 (0.53) | PTGER1PTGER3PTGER2 | |
| SCHEMBL30466810 | 0.70 | DPP4 (0.69) | DPP4HSD17B3F10CYP2C19PNMT | |
| Bicarbonate SCHEMBL27817695 | 0.70 | DPP4 (0.83) | DPP4CYP2C19KDM4EPTGER1PTGER3 | |
| SCHEMBL1134842 | 0.70 | DPP4 (0.69) | DPP4HSD17B3F10CYP2C19PNMT | |
| SCHEMBL5478510 | 0.69 | DPP4 (0.62) | DPP4HSD17B3PNMT | |
| Methylene Chloride SCHEMBL28137218 | 0.69 | ALDH1A1 (0.45) | DPP4PNMTKDM4E |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106029057-B | Oral formulations of pyrrolidine derivatives | 奥布赛瓦股份公司 | 2019-09-03 | — | — | CN | disclosed |
| CN-109928905-A | As oxytocins/pitressin V1a receptor antagonist pyrrolidin derivatives | 奥布赛瓦股份公司 | 2019-06-25 | — | — | CN | disclosed |
| CN-109748836-A | As oxytocins/pitressin V1a receptor antagonist pyrrolidin derivatives | 奥布赛瓦股份公司 | 2019-05-14 | — | — | CN | disclosed |
| CN-107674011-A | Pyrrolidin derivatives as oxytocins/pitressin V1a receptor antagonists | 奥布赛瓦股份公司 | 2018-02-09 | — | — | CN | disclosed |
| CN-106795110-A | Crystalline (3Z, 5S) -5- (hydroxymethyl) -1- [ (2 '-methyl-1, 1' -biphenyl-4-yl) carbonyl ] pyrrolidin-3-one O-methyloxime useful in methods of treating disorders associated with OT-R activity | 奥布赛瓦股份公司 | 2017-05-31 | — | — | CN | disclosed |