Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | F2 | P00734 | 1/20 | 0.43 |
| ▸ | PLG | P00747 | 1/20 | 0.43 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.42 |
| ▸ | LMNA | P02545 | 3/20 | 0.42 |
| ▸ | PKM | P14618 | 2/20 | 0.42 |
| ▸ | HTT | P42858 | 2/20 | 0.42 |
| ▸ | ATM | Q13315 | 2/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | NLRP1 | Q9C000 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | NTSR1 | P30989 | 1/20 | 0.42 |
| ▸ | CES2 | O00748 | 1/20 | 0.42 |
| ▸ | CES1 | P23141 | 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 | |
|---|---|---|---|---|
| SCHEMBL12883157 | 1.00 | MAPT (0.45) | MAPTNPSR1KMT2AGAAF2 | |
| SCHEMBL26845457 | 1.00 | MAPT (0.45) | MAPTNPSR1KMT2AGAAF2 | |
| SCHEMBL5694711 | 0.88 | ALDH1A1 (0.44) | MAPTNPSR1F2PLGPRSS1 | |
| SCHEMBL14131630 | 0.88 | ALDH1A1 (0.44) | MAPTNPSR1F2PLGPRSS1 | |
| SCHEMBL9472778 | 0.88 | ESR1 (0.58) | MAPTNPSR1KMT2AF2PLG | |
| SCHEMBL5694743 | 0.88 | ALDH1A1 (0.44) | MAPTNPSR1F2PLGPRSS1 | |
| SCHEMBL9472781 | 0.88 | ESR1 (0.58) | MAPTNPSR1KMT2AF2PLG | |
| SCHEMBL4509545 | 0.86 | NPSR1 (0.42) | MAPTNPSR1KMT2AF2PLG | |
| SCHEMBL9518987 | 0.86 | SMN1; SMN2 (0.50) | MAPTNPSR1KMT2AGAAF2 | |
| SCHEMBL7345443 | 0.86 | MAPT (0.48) | MAPTNPSR1KMT2AGAAF2 |
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-7226951-B2 | Compounds having selective cytochrome P450RAI-1 or selective cytochrome P450RAI-2 inhibitory activity and methods of obtaining the same | ALLERGAN, INC. (US) | 2007-06-05 | — | — | US | disclosed |