Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 9/20 | 0.36 |
| ▸ | MAOA | P21397 | 7/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.36 |
| ▸ | KDM1A | O60341 | 5/20 | 0.36 |
| ▸ | HTR2C | P28335 | 4/20 | 0.36 |
| ▸ | CYP2B6 | P20813 | 3/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | HTR1A | P08908 | 1/20 | 0.36 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.36 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.36 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.36 |
| ▸ | DRD3 | P35462 | 1/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL7663778 | 1.00 | MAOB (0.36) | MAOBMAOACYP2C19KDM1AHTR2C | |
| SCHEMBL5895000 | 0.80 | HTR2A (0.41) | MAOBMAOAHTR2CTAAR1RXRA | |
| SCHEMBL5763639 | 0.79 | MAPT (0.42) | MAOBMAOACYP2C19KDM1AHTR2C | |
| SCHEMBL5763634 | 0.79 | MAPT (0.42) | MAOBMAOACYP2C19KDM1AHTR2C | |
| SCHEMBL7659772 | 0.79 | MAPT (0.42) | MAOBMAOACYP2C19KDM1AHTR2C | |
| SCHEMBL17106406 | 0.78 | MEN1 (0.44) | MAOBMAOACYP2C19KDM1AHTR2C | |
| SCHEMBL18567234 | 0.74 | MAOB (0.48) | MAOBMAOACYP2C19KDM1AHTR2C | |
| SCHEMBL446482 | 0.74 | MAOB (0.48) | MAOBMAOACYP2C19KDM1AHTR2C | |
| SCHEMBL12728259 | 0.74 | MAOB (0.48) | MAOBMAOACYP2C19KDM1AHTR2C | |
| SCHEMBL446481 | 0.74 | MAOB (0.48) | MAOBMAOACYP2C19KDM1AHTR2C |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6538002-B1 | In particular, these compounds are useful as modulators of the chemokine receptors CCR-5 and/or CCR-3. as antiinflammatory agents | MERCK & CO., INC. | 2003-03-25 | — | — | US | disclosed |
| US-6472410-B1 | N-cyclopentyl modulators of chemokine receptor activity | MERCK & CO., INC. | 2002-10-29 | — | — | US | disclosed |