Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 2/20 | 0.42 |
| ▸ | IDO1 | P14902 | 2/20 | 0.39 |
| ▸ | TDO2 | P48775 | 2/20 | 0.39 |
| ▸ | POLB | P06746 | 2/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | ENPP1 | P22413 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.35 |
| ▸ | PTGS1 | P23219 | 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 | |
|---|---|---|---|---|
| SCHEMBL8631831 | 0.91 | HTR7 (0.39) | PTGS2IDO1TDO2KDM4EMAPT | |
| SCHEMBL8631787 | 0.90 | PTGS2 (0.40) | PTGS2POLBKDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL8629841 | 0.89 | PTGS2 (0.39) | PTGS2PTGS1 | |
| SCHEMBL8635575 | 0.87 | PTGS2 (0.46) | PTGS2IDO1TDO2POLBGAA | |
| SCHEMBL7779503 | 0.86 | PTGS2 (0.48) | PTGS2CYP3A4CYP2C9CYP2D6PTGS1 | |
| SCHEMBL8633822 | 0.85 | POLB (0.33) | PTGS2POLBKDM4EALDH1A1CYP3A4 | |
| SCHEMBL8629933 | 0.84 | PTGS2 (0.46) | PTGS2IDO1TDO2POLBGAA | |
| SCHEMBL8635135 | 0.84 | PTGS2 (0.45) | PTGS2ALDH1A1PTGS1TP53 | |
| SCHEMBL8634661 | 0.83 | PTGS2 (0.45) | PTGS2IDO1TDO2POLBGAA | |
| SCHEMBL8627776 | 0.82 | PTGS2 (0.38) | PTGS2POLBKDM4EMAPTALDH1A1 |
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 |