Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | HTR2A | P28223 | 1/20 | 0.41 |
| ▸ | HTR2C | P28335 | 1/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 3/20 | 0.38 |
| ▸ | MMP2 | P08253 | 2/20 | 0.38 |
| ▸ | GMNN | O75496 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | MMP9 | P14780 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL10748399 | 0.83 | CYP3A4 (0.39) | CYP3A4ALDH1A1KDM4EMAPTLMNA | |
| SCHEMBL5916582 | 0.83 | METAP2 (0.56) | CYP3A4CYP1A2GAAHPGDCYP2C19 | |
| SCHEMBL10501640 | 0.81 | METAP2 (0.37) | CYP3A4HPGDCYP2C19ALDH1A1KDM4E | |
| SCHEMBL10747322 | 0.80 | HTR1A (0.43) | CYP1A2KDM4EMAPTHSP90AA1TDP1 | |
| SCHEMBL10747582 | 0.77 | METAP2 (0.40) | CYP3A4HPGDCYP2C19ALDH1A1KDM4E | |
| SCHEMBL10747607 | 0.76 | KDM4E (0.41) | CYP3A4CYP1A2CYP2C19ALDH1A1KDM4E | |
| SCHEMBL10744657 | 0.75 | KDM4E (0.37) | CYP1A2GAAHPGDCYP2C19ALDH1A1 | |
| SCHEMBL10502474 | 0.74 | ALDH1A1 (0.38) | CYP3A4GAAHPGDCYP2C19ALDH1A1 | |
| SCHEMBL10502118 | 0.72 | NPSR1 (0.44) | CYP3A4HPGDCYP2C19ALDH1A1KDM4E | |
| SCHEMBL10746610 | 0.72 | MAPK1 (0.43) | CYP3A4CYP1A2HPGDCYP2C19ALDH1A1 |
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-4711961-A | Benzisoselenazolethiones and process for the treatment of various diseases in humans | A. NATTERMANN & CIE GMBH (DE) | 1987-12-08 | — | — | US | disclosed |