Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 1/20 | 0.56 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.56 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.56 |
| ▸ | AR | P10275 | 1/20 | 0.55 |
| ▸ | PELP1 | Q8IZL8 | 1/20 | 0.55 |
| ▸ | THRA | P10827 | 1/20 | 0.55 |
| ▸ | THRB | P10828 | 1/20 | 0.55 |
| ▸ | ESR1 | P03372 | 1/20 | 0.52 |
| ▸ | SMPD1 | P17405 | 5/20 | 0.51 |
| ▸ | PLA2G4B | P0C869 | 1/20 | 0.51 |
| ▸ | PRSS1 | P07477 | 3/20 | 0.50 |
| ▸ | MGLL | Q99685 | 1/20 | 0.48 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.48 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL222905 | 0.95 | AKR1C3 (0.61) | AKR1C3AKR1C2AKR1C1ARPELP1 | |
| SCHEMBL11949145 | 0.91 | AR (0.58) | AKR1C3AKR1C2AKR1C1ARPELP1 | |
| SCHEMBL2313353 | 0.90 | THRA (0.67) | THRATHRBESR1SMPD1PLA2G4B | |
| SCHEMBL8169431 | 0.90 | AR (0.60) | AKR1C3AKR1C2AKR1C1ARPELP1 | |
| SCHEMBL28748738 | 0.89 | THRA (0.65) | THRATHRBESR1PLA2G4BPRSS1 | |
| SCHEMBL7833539 | 0.88 | PLA2G4B (0.63) | AKR1C3AKR1C2AKR1C1THRATHRB | |
| SCHEMBL4747285 | 0.86 | AR (0.54) | AKR1C3AKR1C2AKR1C1ARPELP1 | |
| SCHEMBL8887657 | 0.86 | AR (0.58) | AKR1C3AKR1C2AKR1C1ARPELP1 | |
| SCHEMBL1346767 | 0.86 | AR (0.61) | AKR1C3AKR1C2AKR1C1ARPELP1 | |
| SCHEMBL221362 | 0.85 | AR (0.61) | AKR1C3AKR1C2AKR1C1ARPELP1 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1080066-A4 | BIOREDUCTIVE CYTOTOXIC AGENTS | SHIONOGI BIORES CORP (US) | 2004-12-22 | — | — | EP | disclosed |
| 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 |
| EP-1080066-A1 | BIOREDUCTIVE CYTOTOXIC AGENTS | Shionogi Bioresearch Corporation (US) | 2001-03-07 | — | — | 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 |
| WO-1999061409-A1 | BIOREDUCTIVE CYTOTOXIC AGENTS | SHIONOGI BIORESEARCH CORP. (US) | 1999-12-02 | — | — | WO | disclosed |
| US-5969133-A | Bioreductive cytotoxic agents | SHIONGI BIORESEARCH CORP. (US) | 1999-10-19 | — | — | US | disclosed |