Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 4/20 | 0.45 |
| ▸ | CES2 | O00748 | 2/20 | 0.39 |
| ▸ | CES1 | P23141 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 2/20 | 0.37 |
| ▸ | CA2 | P00918 | 2/20 | 0.37 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.35 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.35 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.35 |
| ▸ | SLC22A3 | O75751 | 1/20 | 0.35 |
| ▸ | HTR3B | O95264 | 1/20 | 0.35 |
| ▸ | PLAU | P00749 | 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 | |
|---|---|---|---|---|
| SCHEMBL24697541 | 0.82 | PRKACA (0.44) | LMNATSHRL3MBTL1MAPK1CYP3A4 | |
| SCHEMBL24213539 | 0.80 | PLAU (0.44) | LMNATSHRMAPK1ALOX15CYP3A4 | |
| SCHEMBL24426657 | 0.79 | DRD2 (0.45) | LMNACYP3A4CYP2C19GSK3B | |
| SCHEMBL16923685 | 0.78 | TPMT (0.38) | CA1CA2SLC22A2SLC22A1SLC22A3 | |
| SCHEMBL14538523 | 0.78 | ALDH1A1 (0.40) | LMNACES2CES1ATMALDH1A1 | |
| SCHEMBL20644765 | 0.78 | CES2 (0.39) | LMNACES2CES1MAPK1ALOX15 | |
| SCHEMBL24196737 | 0.78 | IRAK4 (0.30) | — | |
| SCHEMBL24690353 | 0.78 | HTT (0.47) | LMNAMAPK1KDM4EALDH1A1 | |
| SCHEMBL15850351 | 0.77 | F2 (0.42) | CES2CES1TSHRL3MBTL1MAPK1 | |
| SCHEMBL18962611 | 0.76 | PARP1 (0.48) | TSHRKDM4EALDH1A1MAPTHTR3E |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2017097215-A1 | WNT PATHWAY INHIBITOR EMBEDDED WITH UREAS STRUCTURE | 杭州雷索药业有限公司 | 2017-06-15 | — | — | WO | disclosed |