Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 3/20 | 0.52 |
| ▸ | CA1 | P00915 | 3/20 | 0.52 |
| ▸ | CA9 | Q16790 | 3/20 | 0.52 |
| ▸ | MMP1 | P03956 | 1/20 | 0.48 |
| ▸ | MMP2 | P08253 | 1/20 | 0.48 |
| ▸ | MMP3 | P08254 | 1/20 | 0.48 |
| ▸ | MMP8 | P22894 | 1/20 | 0.48 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
| ▸ | HDAC2 | Q92769 | 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 | |
|---|---|---|---|---|
| SCHEMBL11240437 | 0.85 | ALDH1A1 (0.52) | CA12CA1CA9SIGMAR1ALDH1A1 | |
| SCHEMBL542743 | 0.83 | CA12 (0.54) | CA12CA1CA9MMP1MMP2 | |
| SCHEMBL7614760 | 0.81 | EPHX2 (0.51) | MMP2CYP1A2CYP3A4CYP2C19LMNA | |
| SCHEMBL7614747 | 0.81 | EPHX2 (0.51) | MMP2CYP1A2CYP3A4CYP2C19LMNA | |
| SCHEMBL6705193 | 0.80 | MMP1 (0.58) | CA12CA1CA9MMP1MMP2 | |
| SCHEMBL2678053 | 0.80 | CA12 (0.56) | CA12CA1CA9MMP1MMP2 | |
| SCHEMBL283713 | 0.80 | CA12 (0.56) | CA12CA1CA9MMP1MMP2 | |
| SCHEMBL632927 | 0.79 | MMP1 (0.52) | CA12CA1CA9MMP1MMP2 | |
| SCHEMBL3446371 | 0.78 | MMP1 (0.56) | CA12CA1CA9MMP1MMP2 | |
| SCHEMBL6706470 | 0.78 | MMP1 (0.56) | CA12CA1CA9MMP1MMP2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0756596-B1 | TROPANE-2-ALDOXIME DERIVATIVES AS NEUROTRANSMITTER REUPTAKE INHIBITORS | NEUROSEARCH AS (DK) | 2002-08-21 | — | — | EP | disclosed |