Predicted protein targets (top 16)
| 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 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.57 |
| ▸ | FAAH | O00519 | 1/20 | 0.56 |
| ▸ | MGLL | Q99685 | 1/20 | 0.56 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.55 |
| ▸ | CALM1 | P0DP23 | 2/20 | 0.55 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL30989338 | 1.00 | HDAC1 (0.72) | HDAC1HDAC3HDAC6HDAC2TRPV1 | |
| SCHEMBL5189643 | 0.94 | HDAC1 (0.63) | HDAC1HDAC3HDAC6HDAC2TRPV1 | |
| SCHEMBL300007 | 0.89 | TAAR1 (0.62) | HDAC1HDAC3HDAC6HDAC2TRPV1 | |
| SCHEMBL19783665 | 0.88 | HDAC1 (0.72) | HDAC1HDAC3HDAC6HDAC2TRPV1 | |
| SCHEMBL11697173 | 0.87 | HDAC1 (0.71) | HDAC1HDAC3HDAC6HDAC2TRPV1 | |
| SCHEMBL5717704 | 0.84 | LMNA (0.56) | HDAC1HDAC3HDAC6HDAC2TRPV1 | |
| SCHEMBL17084609 | 0.83 | HDAC1 (0.70) | HDAC1HDAC3HDAC6HDAC2TRPV1 | |
| SCHEMBL5717516 | 0.81 | HDAC1 (0.63) | HDAC1HDAC3HDAC6HDAC2TRPV1 | |
| SCHEMBL9150165 | 0.81 | TAAR1 (0.53) | HDAC1HDAC3HDAC6HDAC2TRPV1 | |
| SCHEMBL26919 | 0.81 | HDAC1 (0.62) | 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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0968206-B8 | N-HETEROCYCLIC DERIVATIVES AS NOS INHIBITORS | BERLEX INC (US) | 2007-01-24 | — | — | EP | claimed |
| EP-0968206-A1 | N-HETEROCYCLIC DERIVATIVES AS NOS INHIBITORS | BERLEX LABORATORIES, INC. (US) | 2000-01-05 | — | — | EP | claimed |
| WO-1998037079-A1 | N-HETEROCYCLIC DERIVATIVES AS NOS INHIBITORS | BERLEX LABORATORIES, INC. (US) | 1998-08-27 | — | — | WO | claimed |
| WO-2017065473-A1 | OXADIAZOLE AMINE DERIVATIVE COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITOR, AND THE PHARMACEUTICAL COMPOSITION COMPRISING THE SAME | CHONG KUN DANG PHARMACEUTICAL CORP. (KR) | 2017-04-20 | — | — | WO | disclosed |