Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 2/20 | 0.56 |
| ▸ | CA7 | P43166 | 2/20 | 0.56 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.51 |
| ▸ | MMP2 | P08253 | 9/20 | 0.49 |
| ▸ | MMP9 | P14780 | 7/20 | 0.49 |
| ▸ | ADAMTS4 | O75173 | 1/20 | 0.49 |
| ▸ | CTSL | P07711 | 1/20 | 0.47 |
| ▸ | CTSS | P25774 | 1/20 | 0.47 |
| ▸ | CA1 | P00915 | 1/20 | 0.47 |
| ▸ | CA4 | P22748 | 1/20 | 0.47 |
| ▸ | CA9 | Q16790 | 1/20 | 0.47 |
| ▸ | ADAMTS5 | Q9UNA0 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | MMP1 | P03956 | 1/20 | 0.44 |
| ▸ | MMP3 | P08254 | 1/20 | 0.44 |
| ▸ | MMP7 | P09237 | 1/20 | 0.44 |
| ▸ | MMP13 | P45452 | 1/20 | 0.44 |
| ▸ | NEK1 | Q96PY6 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL18321207 | 0.87 | CA2 (0.73) | CA2CA7PIN1MMP2MMP9 | |
| SCHEMBL28981623 | 0.80 | CA2 (0.63) | CA2CA7MMP2MMP9ADAMTS4 | |
| SCHEMBL28981627 | 0.80 | CA2 (0.63) | CA2CA7MMP2MMP9ADAMTS4 | |
| SCHEMBL7246631 | 0.76 | PIN1 (0.57) | CA2CA7PIN1MMP2MMP9 | |
| SCHEMBL7246633 | 0.76 | PIN1 (0.57) | CA2CA7PIN1MMP2MMP9 | |
| SCHEMBL1287449 | 0.75 | MMP2 (0.62) | CA2CA7PIN1MMP2MMP9 | |
| SCHEMBL1287447 | 0.75 | MMP2 (0.62) | CA2CA7PIN1MMP2MMP9 | |
| SCHEMBL8532716 | 0.75 | PIN1 (0.59) | CA2CA7PIN1MMP2MMP9 | |
| Bromide SCHEMBL27546307 | 0.75 | PIN1 (0.56) | CA2CA7PIN1MMP2MMP9 | |
| SCHEMBL9512132 | 0.73 | MMP2 (0.60) | CA2CA7PIN1MMP2MMP9 |
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-2016202894-A1 | METHOD OF CONVERTING ALCOHOL TO HALIDE | UNIVERSITAET DES SAARLANDES (DE) | 2016-12-22 | — | — | WO | disclosed |