Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 2/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.37 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.34 |
| ▸ | PYCR1 | P32322 | 1/20 | 0.34 |
| ▸ | GABBR2 | O75899 | 7/20 | 0.33 |
| ▸ | GABBR1 | Q9UBS5 | 7/20 | 0.33 |
| ▸ | LMNA | P02545 | 3/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | THRB | P10828 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.33 |
| ▸ | DRD3 | P35462 | 1/20 | 0.33 |
| ▸ | BLM | P54132 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL5879213 | 1.00 | HTR2A (0.47) | HTR2ACYP2C19TAAR1PYCR1GABBR2 | |
| SCHEMBL5879215 | 1.00 | HTR2A (0.47) | HTR2ACYP2C19TAAR1PYCR1GABBR2 | |
| SCHEMBL2170246 | 0.87 | CYP2C19 (0.41) | HTR2ACYP2C19PYCR1LMNACYP1A2 | |
| SCHEMBL11079558 | 0.83 | HTR2A (0.58) | HTR2ACYP2C19TAAR1GABBR2GABBR1 | |
| SCHEMBL8926040 | 0.82 | GABBR2 (0.51) | CYP2C19GABBR2GABBR1LMNACYP2C9 | |
| SCHEMBL5879116 | 0.82 | GABBR2 (0.33) | CYP2C19GABBR2GABBR1LMNACYP2C9 | |
| SCHEMBL5879113 | 0.82 | GABBR2 (0.33) | CYP2C19GABBR2GABBR1LMNACYP2C9 | |
| SCHEMBL252241 | 0.82 | GABBR2 (0.50) | HTR2ACYP2C19TAAR1GABBR2GABBR1 | |
| SCHEMBL8623471 | 0.82 | GABBR2 (0.50) | HTR2ACYP2C19TAAR1GABBR2GABBR1 | |
| SCHEMBL8625715 | 0.82 | GABBR2 (0.50) | HTR2ACYP2C19TAAR1GABBR2GABBR1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-100537527-C | Aryl and biaryl compounds having MCH modulatory activity | PHARMACOPEIA INC (US) | 2009-09-09 | — | — | CN | disclosed |
| CN-1498205-A | Aryl and biaryl compounds having MCH modulatory activity | �����Ƥ�� | 2004-05-19 | — | — | CN | disclosed |
| EP-1370520-A1 | ARYL AND BIARYL COMPOUNDS HAVING MCH MODULATORY ACTIVITY | PHARMACOPEIA, INC. (US) | 2003-12-17 | — | — | EP | disclosed |
| WO-2002076929-A1 | ARYL AND BIARYL COMPOUNDS HAVING MCH MODULATORY ACTIVITY | PHARMACOPEIA, INC. (US) | 2002-10-03 | — | — | WO | disclosed |