Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 3/20 | 0.72 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.72 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.72 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.72 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.64 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.60 |
| ▸ | FAAH | O00519 | 1/20 | 0.59 |
| ▸ | MGLL | Q99685 | 1/20 | 0.59 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.58 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.55 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.55 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.53 |
| ▸ | MAPT | P10636 | 1/20 | 0.51 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL5717516 | 0.94 | HDAC1 (0.63) | HDAC1HDAC3HDAC6HDAC2TRPV1 | |
| SCHEMBL5191016 | 0.88 | HDAC1 (0.72) | HDAC1HDAC3HDAC6HDAC2TRPV1 | |
| SCHEMBL30989338 | 0.88 | HDAC1 (0.72) | HDAC1HDAC3HDAC6HDAC2TRPV1 | |
| SCHEMBL1430901 | 0.87 | TRPM8 (0.65) | HDAC1HDAC3HDAC6HDAC2TRPV1 | |
| SCHEMBL11697173 | 0.87 | HDAC1 (0.71) | HDAC1HDAC3HDAC6HDAC2TRPV1 | |
| SCHEMBL4953724 | 0.86 | TRPV1 (0.71) | HDAC1HDAC3HDAC6HDAC2TRPV1 | |
| SCHEMBL5717522 | 0.84 | ALDH1A1 (0.59) | HDAC1HDAC3HDAC6HDAC2TRPV1 | |
| Hydrochloric Acid SCHEMBL1372176 | 0.83 | ALDH1A1 (0.58) | HDAC1HDAC3HDAC6HDAC2TRPV1 | |
| SCHEMBL17084609 | 0.83 | HDAC1 (0.70) | HDAC1HDAC3HDAC6HDAC2TRPV1 | |
| SCHEMBL5189643 | 0.81 | HDAC1 (0.63) | HDAC1HDAC3HDAC6HDAC2TRPV1 |
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-2018010932-A1 | CATALYTIC CARBOXYLATION OF ACTIVATED ALKANES AND/OR OLEFINS | FUNDACIÓ INSTITUT CATALÀ D'INVESTIGACIÓ QUÍMICA (ES) | 2018-01-18 | — | — | WO | disclosed |