Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.60 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.60 |
| ▸ | TSHR | P16473 | 1/20 | 0.60 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.60 |
| ▸ | SCN1A | P35498 | 1/20 | 0.60 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.60 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.60 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.60 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.60 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.60 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.60 |
| ▸ | RAD52 | P43351 | 1/20 | 0.59 |
| ▸ | SMPD1 | P17405 | 6/20 | 0.55 |
| ▸ | MGLL | Q99685 | 2/20 | 0.52 |
| ▸ | ERAP2 | Q6P179 | 1/20 | 0.51 |
| ▸ | LNPEP | Q9UIQ6 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | NPC1 | O15118 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL222268 | 0.94 | CYP1A2 (0.67) | CYP1A2CYP2D6TSHRSLC6A2SCN1A | |
| SCHEMBL11949139 | 0.90 | CYP1A2 (0.57) | CYP1A2CYP2D6TSHRSLC6A2SCN1A | |
| SCHEMBL11600843 | 0.89 | SMPD1 (0.55) | CYP1A2CYP2D6SCN1AKCNH2SCN2A | |
| SCHEMBL8085916 | 0.87 | CYP1A2 (0.73) | CYP1A2CYP2D6TSHRSLC6A2SCN1A | |
| SCHEMBL24950547 | 0.87 | SMPD1 (0.67) | SMPD1MGLLALDH1A1HPGDTHRA | |
| SCHEMBL9565566 | 0.87 | SMPD1 (0.67) | SMPD1MGLLALDH1A1HPGDTHRA | |
| SCHEMBL967401 | 0.87 | SMPD1 (0.67) | SMPD1MGLLALDH1A1HPGDTHRA | |
| SCHEMBL9304902 | 0.87 | SMPD1 (0.67) | SMPD1MGLLALDH1A1HPGDTHRA | |
| SCHEMBL7335792 | 0.85 | SMPD1 (0.64) | SMPD1MGLLALDH1A1HPGDTHRA | |
| SCHEMBL8085032 | 0.85 | ALDH1A1 (0.62) | 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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1124788-A4 | BIS(HALOETHYL)AMINOBENZENE DERIVATIVES | SHIONOGI BIORES CORP (US) | 2002-11-06 | — | — | EP | disclosed |
| US-6433199-B1 | ANTITUMOR, ANTICANCER AGENTS | SHIONOGI BIORESEARCH CORPORATION | 2002-08-13 | — | — | US | disclosed |
| EP-1124788-A2 | BIS(HALOETHYL)AMINOBENZENE DERIVATIVES | Shionogi Bioresearch Corporation (US) | 2001-08-22 | — | — | EP | disclosed |
| US-6137003-A | Bis (haloethyl) aminobenzene derivatives | SHIONOGI BIORESEARCH (US) | 2000-10-24 | — | — | US | disclosed |
| WO-2000024361-A2 | BIS(HALOETHYL)AMINOBENZENE DERIVATIVES | SHIONOGI BIORESEARCH CORP. (US) | 2000-05-04 | — | — | WO | disclosed |
| US-5969133-A | Bioreductive cytotoxic agents | SHIONGI BIORESEARCH CORP. (US) | 1999-10-19 | — | — | US | disclosed |