Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DPP4 | P27487 | 2/20 | 0.58 |
| ▸ | F10 | P00742 | 3/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | FOLH1 | Q04609 | 2/20 | 0.41 |
| ▸ | HSD17B3 | P37058 | 1/20 | 0.39 |
| ▸ | PNMT | P11086 | 1/20 | 0.38 |
| ▸ | NOS3 | P29474 | 1/20 | 0.37 |
| ▸ | NOS1 | P29475 | 1/20 | 0.37 |
| ▸ | NOS2 | P35228 | 1/20 | 0.37 |
| ▸ | GCG | P01275 | 1/20 | 0.36 |
| ▸ | BCL2 | P10415 | 2/20 | 0.36 |
| ▸ | BAK1 | Q16611 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | PTGER1 | P34995 | 1/20 | 0.35 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.35 |
| ▸ | PTGER3 | P43115 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL6643039 | 0.84 | PPARA (0.47) | CYP2C19KMT2AALDH1A1MAPTL3MBTL1 | |
| SCHEMBL7919905 | 0.84 | DPP4 (0.66) | DPP4F10CYP2C19KMT2AFOLH1 | |
| SCHEMBL30876050 | 0.81 | ALDH1A1 (0.43) | KMT2AALDH1A1MAPTL3MBTL1SMN1; SMN2 | |
| Bicarbonate SCHEMBL27817695 | 0.80 | DPP4 (0.83) | DPP4CYP2C19KMT2AALDH1A1FOLH1 | |
| SCHEMBL28154263 | 0.76 | DPP4 (0.47) | DPP4F10CYP2C19MAPTHSD17B3 | |
| SCHEMBL30466810 | 0.76 | DPP4 (0.69) | DPP4F10CYP2C19HSD17B3PNMT | |
| SCHEMBL12524048 | 0.76 | DPP4 (0.69) | DPP4CYP2C19KMT2APNMTNOS3 | |
| SCHEMBL1134842 | 0.76 | DPP4 (0.69) | DPP4F10CYP2C19HSD17B3PNMT | |
| Hydrochloric Acid SCHEMBL7920197 | 0.75 | CYP1A2 (0.51) | DPP4CYP2C19KMT2AALDH1A1MAPT | |
| SCHEMBL9146754 | 0.75 | KMT2A (0.46) | CYP2C19KMT2AMAPTL3MBTL1FOLH1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106029057-A | Oral formulations of pyrrolidine derivatives | 奥布赛瓦股份公司 | 2016-10-12 | — | — | CN | disclosed |
| CN-105531259-A | Pyrrolidine derivatives as oxytocin/vasopressin V1a receptor antagonists | ObsEva SA | 2016-04-27 | — | — | CN | disclosed |