Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NAAA | Q02083 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 3/20 | 0.38 |
| ▸ | JAK2 | O60674 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.38 |
| ▸ | TACR1 | P25103 | 1/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.37 |
| ▸ | MMP1 | P03956 | 1/20 | 0.36 |
| ▸ | MMP3 | P08254 | 1/20 | 0.36 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 3/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.35 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL11031009 | 0.86 | NPC1 (0.50) | NPC1JAK2RAB9APAX8TACR1 | |
| SCHEMBL10782208 | 0.86 | NPC1 (0.50) | NPC1JAK2RAB9APAX8TACR1 | |
| SCHEMBL7647560 | 0.83 | TRPV1 (0.47) | NPC1JAK2RAB9APAX8TACR1 | |
| SCHEMBL6323990 | 0.83 | TRPV1 (0.47) | NPC1JAK2RAB9APAX8TACR1 | |
| SCHEMBL3342836 | 0.81 | ALDH1A1 (0.45) | NPC1JAK2RAB9APAX8TACR1 | |
| SCHEMBL3342832 | 0.81 | ALDH1A1 (0.45) | NPC1JAK2RAB9APAX8TACR1 | |
| SCHEMBL6418065 | 0.79 | ALDH1A1 (0.40) | NPC1JAK2RAB9APAX8SLC6A2 | |
| SCHEMBL6555727 | 0.78 | CNR2 (0.40) | RAB9AHDAC3HDAC1HDAC2HPGD | |
| SCHEMBL6555724 | 0.78 | CNR2 (0.40) | RAB9AHDAC3HDAC1HDAC2HPGD | |
| SCHEMBL6555751 | 0.78 | ALOX5 (0.46) | RAB9ASMN1; SMN2MAPT |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1465882-A4 | HETROCYCLIC MODULATORS OF NUCLEAR RECEPTORS | X CEPTOR THERAPEUTICS INC (US) | 2005-04-06 | — | — | EP | disclosed |
| EP-1465882-A2 | HETROCYCLIC MODULATORS OF NUCLEAR RECEPTORS | X-Ceptor Therapeutics, Inc. (US) | 2004-10-13 | — | — | EP | disclosed |
| WO-2003060078-A2 | HETEROCYCLIC MODULATORS OF NUCLEAR RECEPTORS | X-CEPTOR THERAPEUTICS, INC. (US) | 2003-07-24 | — | — | WO | disclosed |