Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 3/20 | 0.37 |
| ▸ | CA12 | O43570 | 2/20 | 0.37 |
| ▸ | CA9 | Q16790 | 2/20 | 0.37 |
| ▸ | MMP1 | P03956 | 1/20 | 0.35 |
| ▸ | MMP2 | P08253 | 1/20 | 0.35 |
| ▸ | MMP3 | P08254 | 1/20 | 0.35 |
| ▸ | MMP8 | P22894 | 1/20 | 0.35 |
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.33 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.33 |
| ▸ | FAAH | O00519 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL14230113 | 0.85 | CA1 (0.40) | CA1CA12CA9MMP1MMP2 | |
| SCHEMBL14229142 | 0.83 | MMP1 (0.43) | CA1CA12CA9MMP1MMP2 | |
| SCHEMBL4346470 | 0.83 | CA12 (0.50) | CA1CA12CA9MMP1MMP2 | |
| SCHEMBL11120897 | 0.83 | KDM4C (0.40) | CA1CA12CA9MMP1MMP2 | |
| Hydrochloric Acid SCHEMBL28209960 | 0.81 | CA12 (0.48) | CA1CA12CA9MMP1MMP2 | |
| SCHEMBL13638256 | 0.79 | CA12 (0.47) | CA1CA12CA9MMP1MMP2 | |
| SCHEMBL5696589 | 0.79 | CA12 (0.47) | CA1CA12CA9MMP1MMP2 | |
| SCHEMBL8057883 | 0.78 | CA12 (0.45) | CA1CA12CA9MMP1MMP2 | |
| SCHEMBL23846674 | 0.78 | GGPS1 (0.39) | CA1CA12CA9MMP1MMP2 | |
| SCHEMBL25271571 | 0.77 | CA12 (0.43) | CA1CA12CA9MMP1MMP2 |
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 |
|---|---|---|---|---|---|---|---|
| US-4596678-A | Multiple-step process for the preparation of hexamethylene diisocyanate-1,6 and/or isomeric aliphatic diisocyanates with six carbon atoms in the alkylene residue | BASF AKTIENGESELLSCHAFT (DE) | 1986-06-24 | — | — | US | disclosed |