Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 5/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 10/20 | 0.39 |
| ▸ | DAO | P14920 | 1/20 | 0.37 |
| ▸ | P2RY6 | Q15077 | 1/20 | 0.36 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL17644228 | 0.80 | CA2 (0.40) | AKR1B1CA2MAOBDAOP2RY6 | |
| SCHEMBL14367865 | 0.79 | CA2 (0.38) | AKR1B1CA2MAOBP2RY6TMEM97 | |
| SCHEMBL13817385 | 0.78 | USP2 (0.42) | CA2MAOB | |
| SCHEMBL12672866 | 0.76 | PARP1 (0.44) | DAO | |
| SCHEMBL2267094 | 0.76 | ESR1 (0.44) | MAOB | |
| SCHEMBL25626596 | 0.76 | CHRNB4 (0.38) | CA2 | |
| SCHEMBL3763119 | 0.73 | CA2 (0.45) | CA2 | |
| SCHEMBL12463520 | 0.73 | CYP19A1 (0.39) | CA2DAO | |
| SCHEMBL17150883 | 0.73 | CA2 (0.51) | AKR1B1CA2 | |
| SCHEMBL9329781 | 0.71 | POLB (0.52) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1094805-A4 | SUBSTITUTED OXYGEN ALICYCLIC COMPOUNDS, INCLUDING METHODS FOR SYNTHESIS THEREOF | MILLENNIUM PHARM INC (US) | 2002-08-28 | — | — | EP | disclosed |
| EP-1102759-A1 | METHODS FOR SYNTHESIS OF SUBSTITUTED TETRAHYDROFURAN COMPOUND | Millennium Pharmaceuticals, Inc. (US) | 2001-05-30 | — | — | EP | disclosed |
| EP-1094805-A1 | SUBSTITUTED OXYGEN ALICYCLIC COMPOUNDS, INCLUDING METHODS FOR SYNTHESIS THEREOF | Millennium Pharmaceuticals, Inc. (US) | 2001-05-02 | — | — | EP | disclosed |
| WO-2000001381-A1 | SUBSTITUTED OXYGEN ALICYCLIC COMPOUNDS, INCLUDING METHODS FOR SYNTHESIS THEREOF | LEUKOSITE, INC. (US) | 2000-01-13 | — | — | WO | disclosed |
| WO-2000001683-A1 | METHODS FOR SYNTHESIS OF SUBSTITUTED TETRAHYDROFURAN COMPOUND | LEUKOSITE, INC. (US) | 2000-01-13 | — | — | WO | disclosed |