Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 4/20 | 0.60 |
| ▸ | ESR1 | P03372 | 2/20 | 0.60 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.60 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.60 |
| ▸ | AHR | P35869 | 2/20 | 0.60 |
| ▸ | TUBB1 | Q9H4B7 | 2/20 | 0.60 |
| ▸ | ABL1 | P00519 | 1/20 | 0.60 |
| ▸ | TTR | P02766 | 1/20 | 0.60 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.60 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.60 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.60 |
| ▸ | BCR | P11274 | 1/20 | 0.60 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.60 |
| ▸ | NQO2 | P16083 | 1/20 | 0.60 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.60 |
| ▸ | TUBB | P07437 | 1/20 | 0.60 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.60 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.60 |
| ▸ | TUBA4A | P68366 | 1/20 | 0.60 |
| ▸ | TUBB4B | P68371 | 1/20 | 0.60 |
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 | |
|---|---|---|---|---|
| SCHEMBL280156 | 0.88 | PKM (0.70) | PTGS2AKR1C3PTGS1LMNAPKM | |
| SCHEMBL11986371 | 0.88 | PKM (0.70) | PTGS2AKR1C3PTGS1LMNAPKM | |
| SCHEMBL9720721 | 0.85 | MAOB (0.55) | PTGS2CYP1A2AKR1C3PTGS1 | |
| SCHEMBL9720723 | 0.85 | MAOB (0.55) | PTGS2CYP1A2AKR1C3PTGS1 | |
| SCHEMBL7485948 | 0.83 | RELA (0.68) | CYP1A1CYP1B1TUBB1ABL1CYP1A2 | |
| SCHEMBL8005674 | 0.82 | PKM (0.61) | PTGS2AKR1C3PTGS1PKM | |
| SCHEMBL7503391 | 0.82 | PTGS2 (0.71) | PTGS2PTGS1KDM4EPKM | |
| SCHEMBL4881152 | 0.81 | RELA (0.81) | PTGS2ESR1CYP1A1CYP1B1AHR | |
| SCHEMBL13790336 | 0.81 | RELA (0.81) | PTGS2ESR1CYP1A1CYP1B1AHR | |
| SCHEMBL631998 | 0.81 | RELA (0.81) | PTGS2ESR1CYP1A1CYP1B1AHR |
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 |
|---|---|---|---|---|---|---|---|
| WO-2006029436-A1 | COX-II INHIBITOR COMPOUNDS | Universität Wien (AT) | 2006-03-23 | — | — | WO | disclosed |