Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP13 | P45452 | 1/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | THPO | P40225 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.34 |
| ▸ | OPRL1 | P41146 | 2/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | NSD3 | Q9BZ95 | 1/20 | 0.33 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.33 |
| ▸ | PDE4A | P27815 | 1/20 | 0.32 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL4429230 | 0.78 | MMP2 (0.35) | CYP1A2TSHROPRM1OPRL1NSD3 | |
| SCHEMBL4597523 | 0.76 | NPSR1 (0.32) | ALDH1A1NSD3CHRM3GBA1 | |
| SCHEMBL5179386 | 0.74 | GRIN1 (0.38) | ALDH1A1ALOX15OPRM1NSD3CHRM2 | |
| SCHEMBL4598182 | 0.71 | GRIN1 (0.36) | SLC6A4CYP3A4CYP1A2ALDH1A1CYP2C19 | |
| Hydrochloric Acid SCHEMBL8413869 | 0.70 | OPRM1 (0.35) | CYP3A4ALDH1A1TSHROPRM1OPRL1 | |
| SCHEMBL4626507 | 0.69 | NSD3 (0.36) | ALDH1A1OPRM1ATMNSD3CHRM2 | |
| SCHEMBL4610698 | 0.69 | NSD3 (0.36) | ALDH1A1OPRM1ATMNSD3CHRM2 | |
| SCHEMBL4598539 | 0.69 | NSD3 (0.34) | SLC6A4CYP1A2ALDH1A1OPRM1OPRL1 | |
| SCHEMBL4415834 | 0.68 | BACE1 (0.36) | NSD3CHRM2CHRM3 | |
| SCHEMBL4595948 | 0.68 | BACE1 (0.36) | NSD3CHRM2CHRM3 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1924265-A2 | CHEMOKINE RECEPTOR BINDING COMPOUNDS | Genzyme Corporation (US) | 2008-05-28 | — | — | EP | disclosed |
| WO-2007022371-A2 | CHEMOKINE RECEPTOR BINDING COMPOUNDS | GENZYME CORPORATION (US) | 2007-02-22 | — | — | WO | disclosed |