Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.48 |
| ▸ | SCN1A | P35498 | 1/20 | 0.48 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.48 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.48 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.48 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.48 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.48 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 7/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | HPGD | P15428 | 3/20 | 0.48 |
| ▸ | GAA | P10253 | 3/20 | 0.48 |
| ▸ | GLA | P06280 | 2/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.48 |
| ▸ | CASP1 | P29466 | 1/20 | 0.48 |
| ▸ | CASP7 | P55210 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL1345863 | 0.96 | MAPT (0.51) | CYP1A2CYP2D6TSHRSLC6A2SCN1A | |
| SCHEMBL7546016 | 0.87 | PTGER4 (0.50) | CYP1A2CYP2D6TSHRSLC6A2SCN1A | |
| SCHEMBL8888393 | 0.84 | MAPT (0.51) | CYP1A2CYP2D6TSHRSLC6A2SCN1A | |
| SCHEMBL11949139 | 0.84 | CYP1A2 (0.57) | CYP1A2CYP2D6TSHRSLC6A2SCN1A | |
| SCHEMBL30823363 | 0.83 | MAPT (0.46) | MAPTKDM4EALDH1A1HPGDGAA | |
| SCHEMBL27140070 | 0.83 | MAPT (0.46) | MAPTKDM4EALDH1A1HPGDGAA | |
| SCHEMBL20076085 | 0.83 | TTR (0.56) | MAPTKDM4EALDH1A1HPGDTDP1 | |
| Hydrochloric Acid SCHEMBL25376018 | 0.83 | RAD52 (0.52) | CYP1A2CYP2D6TSHRSLC6A2SCN1A | |
| SCHEMBL222268 | 0.83 | CYP1A2 (0.67) | CYP1A2CYP2D6TSHRSLC6A2SCN1A | |
| SCHEMBL4295311 | 0.83 | MAPT (0.50) | CYP1A2CYP2D6TSHRSLC6A2SCN1A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6433199-B1 | ANTITUMOR, ANTICANCER AGENTS | SHIONOGI BIORESEARCH CORPORATION | 2002-08-13 | — | — | US | disclosed |
| US-6137003-A | Bis (haloethyl) aminobenzene derivatives | SHIONOGI BIORESEARCH (US) | 2000-10-24 | — | — | US | disclosed |
| US-5969133-A | Bioreductive cytotoxic agents | SHIONGI BIORESEARCH CORP. (US) | 1999-10-19 | — | — | US | disclosed |