Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.52 |
| ▸ | CA12 | O43570 | 6/20 | 0.48 |
| ▸ | CA1 | P00915 | 6/20 | 0.48 |
| ▸ | CA9 | Q16790 | 6/20 | 0.48 |
| ▸ | CA2 | P00918 | 4/20 | 0.48 |
| ▸ | MGLL | Q99685 | 1/20 | 0.41 |
| ▸ | MMP1 | P03956 | 1/20 | 0.39 |
| ▸ | MMP2 | P08253 | 1/20 | 0.39 |
| ▸ | MMP3 | P08254 | 1/20 | 0.39 |
| ▸ | MMP8 | P22894 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | DNM1 | Q05193 | 3/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.33 |
| ▸ | KDM5A | P29375 | 1/20 | 0.32 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL9665589 | 0.91 | CA12 (0.57) | ALDH1A1ALDH2CA12CA1CA9 | |
| SCHEMBL11874009 | 0.87 | ALDH1A1 (0.46) | ALDH1A1ALDH2CA12CA1CA9 | |
| SCHEMBL1276727 | 0.85 | ALDH1A1 (0.61) | ALDH1A1ALDH2CA12CA1CA9 | |
| SCHEMBL9666710 | 0.83 | ALDH1A1 (0.54) | ALDH1A1ALDH2CA12CA1CA9 | |
| SCHEMBL9666884 | 0.83 | ALDH1A1 (0.43) | ALDH1A1ALDH2CA12CA1CA9 | |
| SCHEMBL9666774 | 0.80 | CA12 (0.52) | ALDH1A1ALDH2CA12CA1CA9 | |
| SCHEMBL9666739 | 0.78 | DNM1 (0.52) | ALDH1A1ALDH2CA12CA1CA9 | |
| SCHEMBL28705278 | 0.77 | CA12 (0.62) | ALDH1A1ALDH2CA12CA1CA9 | |
| SCHEMBL11243050 | 0.75 | CA12 (0.67) | ALDH1A1ALDH2CA12CA1CA9 | |
| SCHEMBL7262845 | 0.75 | CA12 (0.67) | ALDH1A1ALDH2CA12CA1CA9 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5153331-A | Reacting 6-epoxyethyl-3-oxatricyclo 3.2.1.0(2,4)!octane with a thiocyanate salt and/or a thiourea | NIPPON OIL COMPANY, LTD. (JP) | 1992-10-06 | — | — | US | disclosed |
| EP-0452092-A2 | 6-Epithioethyl-3-oxatricyclo (3.2.1.02.4) octane and process for preparation thereof | NIPPON OIL CO. LTD. (JP) | 1991-10-16 | — | — | EP | disclosed |