Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.59 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.59 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.59 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.59 |
| ▸ | MAPT | P10636 | 1/20 | 0.58 |
| ▸ | LMNA | P02545 | 2/20 | 0.56 |
| ▸ | GAA | P10253 | 2/20 | 0.56 |
| ▸ | HTT | P42858 | 2/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.56 |
| ▸ | HPGD | P15428 | 1/20 | 0.56 |
| ▸ | RECQL | P46063 | 1/20 | 0.55 |
| ▸ | CA1 | P00915 | 5/20 | 0.54 |
| ▸ | CA2 | P00918 | 5/20 | 0.54 |
| ▸ | CA12 | O43570 | 2/20 | 0.54 |
| ▸ | CA9 | Q16790 | 2/20 | 0.54 |
| ▸ | CA4 | P22748 | 2/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.53 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL9706199 | 0.88 | NPC1 (0.53) | CYP3A4CYP1A2CYP2C9CYP2C19MAPT | |
| SCHEMBL9705794 | 0.84 | CA1 (0.68) | GAACA1CA2CA12CA9 | |
| SCHEMBL27083384 | 0.83 | CA1 (0.63) | MAPTGAACA1CA2CA12 | |
| SCHEMBL9856623 | 0.83 | CA1 (0.68) | GAACA1CA2CA12CA9 | |
| SCHEMBL3253283 | 0.81 | CYP3A4 (0.70) | CYP3A4CYP1A2CYP2C9CYP2C19MAPT | |
| SCHEMBL4360213 | 0.80 | CA1 (0.48) | CYP3A4CYP1A2CYP2C9CYP2C19MAPT | |
| SCHEMBL16353842 | 0.79 | CYP3A4 (0.76) | CYP3A4CYP1A2CYP2C9CYP2C19MAPT | |
| SCHEMBL16610098 | 0.78 | MAPT (0.84) | CYP3A4CYP1A2CYP2C9CYP2C19MAPT | |
| SCHEMBL17883382 | 0.78 | CA1 (0.66) | LMNAGAAHTTHPGDCA1 | |
| SCHEMBL9972482 | 0.78 | CA1 (0.66) | LMNAGAAHTTHPGDCA1 |
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-1992011232-A1 | CHELATING AGENTS | NYCOMED IMAGING AS (NO) | 1992-07-09 | — | — | WO | disclosed |