Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.42 |
| ▸ | MAPT | P10636 | 4/20 | 0.42 |
| ▸ | MT-ND4 | P03905 | 3/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | GMNN | O75496 | 1/20 | 0.42 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.42 |
| ▸ | MTOR | P42345 | 1/20 | 0.42 |
| ▸ | RECQL | P46063 | 1/20 | 0.42 |
| ▸ | HTR6 | P50406 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL19185149 | 0.89 | MAPT (0.45) | CYP3A4MAPTMT-ND4ALDH1A1CYP2C19 | |
| SCHEMBL13248245 | 0.82 | CYP3A4 (0.54) | CYP3A4MAPTMT-ND4ALDH1A1CYP2C19 | |
| SCHEMBL20902712 | 0.81 | MAPT (0.48) | CYP3A4MAPTMT-ND4ALDH1A1CYP2C19 | |
| SCHEMBL13267909 | 0.80 | MAPT (0.45) | CYP3A4MAPTMT-ND4ALDH1A1CYP2C19 | |
| SCHEMBL16202237 | 0.77 | CYP3A4 (0.48) | CYP3A4MAPTMT-ND4ALDH1A1CYP2C19 | |
| SCHEMBL13403657 | 0.76 | CYP3A4 (0.43) | CYP3A4MAPTMT-ND4ALDH1A1CYP2C19 | |
| SCHEMBL13248251 | 0.73 | CYP3A4 (0.47) | CYP3A4MAPTMT-ND4ALDH1A1CYP2C19 | |
| SCHEMBL13267998 | 0.71 | MAPT (0.49) | CYP3A4MAPTMT-ND4ALDH1A1CYP2C19 | |
| SCHEMBL10133744 | 0.71 | CYP3A4 (0.59) | CYP3A4MAPTMT-ND4ALDH1A1CYP2C19 | |
| SCHEMBL2631491 | 0.70 | CYP3A4 (0.58) | CYP3A4MAPTMT-ND4ALDH1A1CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| US-9719986-B2 | Haptens, hapten conjugates, compositions thereof preparation and method for their preparation and use | VENTANA MEDICAL SYSTEMS, INC. (US) | 2017-08-01 | — | — | US | disclosed |