Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 3/20 | 0.46 |
| ▸ | CA1 | P00915 | 3/20 | 0.46 |
| ▸ | CA9 | Q16790 | 3/20 | 0.46 |
| ▸ | CA2 | P00918 | 2/20 | 0.46 |
| ▸ | PHGDH | O43175 | 3/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | MGLL | Q99685 | 2/20 | 0.44 |
| ▸ | PDK1 | Q15118 | 2/20 | 0.44 |
| ▸ | PDK2 | Q15119 | 2/20 | 0.44 |
| ▸ | PDK3 | Q15120 | 2/20 | 0.44 |
| ▸ | FAAH | O00519 | 1/20 | 0.44 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | MMP1 | P03956 | 1/20 | 0.41 |
| ▸ | MMP3 | P08254 | 1/20 | 0.41 |
| ▸ | MMP8 | P22894 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL28978940 | 0.83 | CA12 (0.38) | CA12CA1CA9CA2PHGDH | |
| SCHEMBL11007363 | 0.81 | SMN1; SMN2 (0.50) | CA12CA1CA9CA2PHGDH | |
| SCHEMBL25118514 | 0.74 | — | — | |
| SCHEMBL8702 | 0.74 | — | — | |
| SCHEMBL11843273 | 0.74 | — | — | |
| SCHEMBL7898099 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL11104570 | 0.72 | LMNA (0.46) | CA12CA1CA9CA2PHGDH | |
| SCHEMBL5461295 | 0.71 | CA12 (0.52) | CA12CA1CA9CA2PHGDH | |
| SCHEMBL11522574 | 0.71 | CA12 (0.41) | CA12CA1CA9CA2PHGDH | |
| SCHEMBL11615356 | 0.71 | CA12 (0.37) | CA12CA1CA9CA2PHGDH |
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-5703075-A | Antiatherosclerotic and antithrombotic 1-benzopyran-4-ones and 2-amino-1,3-benzoxazine-4-ones | PHARMACIA & UPJOHN COMPANY (US) | 1997-12-30 | — | — | US | disclosed |
| EP-0459983-A1 | ANTIATHEROSCLEROTIC AND ANTITHROMBOTIC 1-BENZOPYRAN-4-ONES AND 2-AMINO-1,3-BENZOXAZINE-4-ONES | PHARMACIA & UPJOHN COMPANY (US) | 1991-12-11 | — | — | EP | disclosed |
| WO-1990006921-A1 | ANTIATHEROSCLEROTIC AND ANTITHROMBOTIC 1-BENZOPYRAN-4-ONES AND 2-AMINO-1,3-BENZOXAZINE-4-ONES | THE UPJOHN COMPANY (US) | 1990-06-28 | — | — | WO | disclosed |