Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPV1 | Q8NER1 | 10/20 | 0.70 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.53 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.53 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.53 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | NPC1 | O15118 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 1/20 | 0.50 |
| ▸ | RPS6KB2 | Q9UBS0 | 1/20 | 0.46 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | MTNR1A | P48039 | 2/20 | 0.44 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL14644389 | 0.86 | PRKCI (0.55) | TRPV1HDAC1HDAC2HDAC3HDAC8 | |
| SCHEMBL14644393 | 0.85 | TRPV1 (0.70) | TRPV1HDAC1HDAC2HDAC3HDAC8 | |
| SCHEMBL17203114 | 0.83 | TRPV1 (0.66) | TRPV1HDAC1HDAC2HDAC3HDAC8 | |
| SCHEMBL8607007 | 0.82 | TRPV1 (0.64) | TRPV1HDAC1HDAC2HDAC3HDAC8 | |
| SCHEMBL14644384 | 0.81 | TRPV1 (0.48) | TRPV1HDAC1HDAC2HDAC3HDAC8 | |
| SCHEMBL4619799 | 0.77 | RPS6KB2 (0.60) | TRPV1HDAC1HDAC2HDAC3HDAC8 | |
| SCHEMBL14340893 | 0.77 | RPS6KB2 (0.64) | TRPV1HDAC1HDAC2HDAC3HDAC8 | |
| SCHEMBL17205589 | 0.75 | TRPV1 (1.00) | TRPV1HDAC1HDAC2HDAC3HDAC8 | |
| SCHEMBL11695487 | 0.74 | HDAC2 (0.67) | TRPV1HDAC1HDAC2HDAC3HDAC8 | |
| SCHEMBL29061716 | 0.73 | CYP2E1 (0.55) | TRPV1KDM4ENPC1ALDH1A1HPGD |
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-2013007792-A1 | NOVEL TH2 POLARIZING COMPOUNDS | THURGAUISCHE STIFTUNG FÜR WISSENSCHAFT UND FORSCHUNG (CH) | 2013-01-17 | — | — | WO | disclosed |