Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 4/20 | 0.40 |
| ▸ | MEN1 | O00255 | 3/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | CNR1 | P21554 | 1/20 | 0.38 |
| ▸ | CNR2 | P34972 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.35 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.35 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.34 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL15990731 | 0.81 | ALDH1A1 (0.38) | NPC1CNR1CNR2MAPTHTT | |
| SCHEMBL19945972 | 0.78 | CCR3 (0.40) | KMT2AMEN1NPC1MAPTHTT | |
| SCHEMBL1287146 | 0.77 | OPRM1 (0.52) | KMT2AMEN1CNR1CNR2HTT | |
| SCHEMBL6462715 | 0.70 | TSHR (0.49) | KMT2AMEN1NPC1MAPTNPSR1 | |
| SCHEMBL500100 | 0.69 | SMN1; SMN2 (0.39) | KMT2AMEN1NPC1MAPTALDH1A1 | |
| SCHEMBL17429759 | 0.69 | SMN1; SMN2 (0.39) | KMT2AMEN1NPC1MAPTALDH1A1 | |
| SCHEMBL468070 | 0.69 | KMT2A (0.58) | KMT2AMEN1NPC1HTTALDH1A1 | |
| SCHEMBL683522 | 0.69 | KMT2A (0.58) | KMT2AMEN1NPC1HTTALDH1A1 | |
| Hydrochloric Acid SCHEMBL1647739 | 0.69 | TSHR (0.47) | KMT2AMEN1NPC1MAPTNPSR1 | |
| SCHEMBL6625969 | 0.68 | EPHX1 (0.69) | KMT2AMEN1NPC1MAPTHTT |
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 |
|---|---|---|---|---|---|---|---|
| EP-3293182-A1 | HUMAN PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE | Aerpio Therapeutics, Inc. (US) | 2018-03-14 | — | — | EP | disclosed |