Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DPP4 | P27487 | 6/20 | 0.64 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.40 |
| ▸ | MAOB | P27338 | 4/20 | 0.39 |
| ▸ | MAOA | P21397 | 4/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | MGAM | O43451 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | SI | P14410 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.38 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | CYP1A1 | P04798 | 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 | |
|---|---|---|---|---|
| SCHEMBL19313331 | 1.00 | DPP4 (0.64) | DPP4CYP1A2CYP1B1MAOBMAOA | |
| SCHEMBL22135594 | 0.93 | DPP4 (0.56) | DPP4CYP1A2CYP1B1MAOBMAOA | |
| SCHEMBL19313402 | 0.81 | DPP4 (0.61) | DPP4KDM4EALDH1A1GAALMNA | |
| SCHEMBL19313379 | 0.78 | DPP4 (1.00) | DPP4 | |
| SCHEMBL22135647 | 0.78 | DPP4 (0.62) | DPP4CYP1A2CYP1B1MAOBMAOA | |
| SCHEMBL19305518 | 0.78 | DPP4 (1.00) | DPP4 | |
| SCHEMBL19530931 | 0.78 | DPP4 (1.00) | DPP4 | |
| SCHEMBL19313382 | 0.78 | DPP4 (1.00) | DPP4 | |
| SCHEMBL19313329 | 0.77 | DPP4 (0.46) | DPP4CYP1A2CYP1B1MAOBMAOA | |
| SCHEMBL19313348 | 0.76 | DPP4 (0.73) | DPP4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3214079-B1 | SIX-MEMBERED RING BENZO DERIVATIVES AS DPP-4 INHIBITOR AND USE THEREOF | UNIV EAST CHINA SCIENCE & TECH (CN) | 2020-06-24 | — | — | EP | disclosed |
| EP-3214079-A1 | SIX-MEMBERED RING BENZO DERIVATIVES AS DPP-4 INHIBITOR AND USE THEREOF | East China University Of Science And Technology (CN) | 2017-09-06 | — | — | EP | disclosed |