Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.38 |
| ▸ | HPGD | P15428 | 5/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | PTGES2 | Q9H7Z7 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.37 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.36 |
| ▸ | NRP1 | O14786 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | PDE4A | P27815 | 1/20 | 0.35 |
| ▸ | PDE4B | Q07343 | 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 | |
|---|---|---|---|---|
| SCHEMBL8631606 | 0.91 | HTR7 (0.39) | KDM4EHPGDCYP3A4CYP2C9CYP2C19 | |
| SCHEMBL8634745 | 0.90 | PTGS2 (0.38) | KDM4EHPGDCYP3A4CYP2C9CYP2C19 | |
| SCHEMBL7779758 | 0.86 | PTGS2 (0.46) | MAPTPTGS2CA12CA1CA2 | |
| SCHEMBL8629956 | 0.86 | PTGS2 (0.37) | KDM4EHPGDCYP3A4CYP2C9CYP2C19 | |
| SCHEMBL8629352 | 0.86 | F10 (0.38) | KDM4EHPGDCYP3A4CYP2C9CYP2C19 | |
| SCHEMBL8630565 | 0.85 | PTGS2 (0.40) | KDM4EHPGDCYP3A4CYP2C9CYP2C19 | |
| SCHEMBL8631669 | 0.83 | PTGES2 (0.38) | KDM4EHPGDCYP3A4CYP2C9CYP2C19 | |
| SCHEMBL8627776 | 0.83 | PTGS2 (0.38) | KDM4EHPGDCYP3A4CYP2C9CYP2C19 | |
| SCHEMBL8635045 | 0.82 | PDE9A (0.42) | KDM4EHPGDCYP3A4CYP2C9CYP2C19 | |
| SCHEMBL8634717 | 0.82 | PTGS2 (0.43) | PTGS2F10PTGS1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5756530-A | NON-STEROIDAL ANTIINFLAMMATORY AGENTS WITH REDUCED SIDE EFFECTS | G. D. SEARLE & CO. (US) | 1998-05-26 | — | — | US | disclosed |