Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.51 |
| ▸ | CA12 | O43570 | 5/20 | 0.49 |
| ▸ | CA1 | P00915 | 5/20 | 0.49 |
| ▸ | CA2 | P00918 | 5/20 | 0.49 |
| ▸ | CA7 | P43166 | 5/20 | 0.49 |
| ▸ | HPGD | P15428 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | CNR1 | P21554 | 2/20 | 0.47 |
| ▸ | CNR2 | P34972 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.45 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.45 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.45 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.45 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.45 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.45 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL18134839 | 0.83 | CYP3A4 (0.58) | CYP3A4CYP2C19L3MBTL1CA12CA1 | |
| SCHEMBL6822042 | 0.81 | ALDH1A1 (0.62) | HPGDALDH1A1MEN1KMT2AHDAC3 | |
| SCHEMBL7438653 | 0.79 | CYP4F2 (0.46) | HPGDALDH1A1MEN1KMT2A | |
| SCHEMBL6249295 | 0.78 | POLB (0.49) | L3MBTL1CA12CA1CA2CA7 | |
| SCHEMBL12127405 | 0.77 | CNR1 (0.67) | CYP3A4CYP2C19L3MBTL1ALDH1A1CNR1 | |
| SCHEMBL17282175 | 0.77 | CYP3A4 (0.62) | CYP3A4CYP2C19L3MBTL1HPGDALDH1A1 | |
| SCHEMBL18134836 | 0.76 | CYP3A4 (0.65) | CYP3A4CYP2C19L3MBTL1HPGDALDH1A1 | |
| SCHEMBL17335992 | 0.75 | CYP3A4 (0.63) | CYP3A4CYP2C19L3MBTL1HPGDALDH1A1 | |
| SCHEMBL12992173 | 0.75 | CYP3A4 (0.68) | CYP3A4CYP2C19L3MBTL1HPGDALDH1A1 | |
| SCHEMBL6821960 | 0.74 | FFAR1 (0.52) | HPGDALDH1A1MEN1KMT2AHDAC3 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2004050646-A1 | 1, 2, 5-THIADIAZOLIDIN-3-ONE 1, 1 DIOXIDE DERIVATIVES AS INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE PTP1B | ASTRAZENECA AB (SE) | 2004-06-17 | — | — | WO | disclosed |