Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | MLYCD | O95822 | 7/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | CA7 | P43166 | 1/20 | 0.40 |
| ▸ | ACACB | O00763 | 2/20 | 0.38 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.38 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.38 |
| ▸ | MTNR1A | P48039 | 3/20 | 0.38 |
| ▸ | MTNR1B | P49286 | 3/20 | 0.38 |
| ▸ | CTSK | P43235 | 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 | |
|---|---|---|---|---|
| SCHEMBL8972253 | 0.85 | CYP2D6 (0.63) | CYP2D6MLYCDCA1CA2CA7 | |
| SCHEMBL27426180 | 0.85 | CYP2D6 (0.63) | CYP2D6MLYCDCA1CA2CA7 | |
| SCHEMBL8971704 | 0.83 | CYP2D6 (0.53) | CYP2D6MLYCDCA1CA2CA7 | |
| SCHEMBL22715723 | 0.80 | CYP2D6 (0.49) | CYP2D6MLYCDCA1CA2CA7 | |
| SCHEMBL27425097 | 0.80 | CYP2D6 (0.49) | CYP2D6MLYCDCA1CA2CA7 | |
| SCHEMBL1144274 | 0.79 | MGAM (0.42) | ACACBMTNR1AMTNR1B | |
| SCHEMBL1144297 | 0.79 | MGAM (0.42) | ACACBMTNR1AMTNR1B | |
| SCHEMBL1144293 | 0.79 | MGAM (0.42) | ACACBMTNR1AMTNR1B | |
| SCHEMBL22213714 | 0.79 | CYP2D6 (0.45) | CYP2D6MLYCDCA1CA2CA7 | |
| SCHEMBL22204605 | 0.79 | CYP2D6 (0.45) | CYP2D6MLYCDCA1CA2CA7 |
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-5518903-A | HYDROLYSIS OF ESTER | CHISSO CORPORATION (JP) | 1996-05-21 | — | — | US | disclosed |