Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 2/20 | 0.48 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.48 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.42 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | PTGES | O14684 | 1/20 | 0.41 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | RGS12 | O14924 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | GNAI1 | P63096 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL8876095 | 0.87 | AKR1A1 (0.53) | AKR1B1AKR1A1PTGS2PLA2G2AMAPT | |
| SCHEMBL8878179 | 0.87 | PTGS2 (0.54) | PTGS2PLA2G2AMAPTPTGESALOX5 | |
| SCHEMBL8878139 | 0.75 | PTGS2 (0.71) | PTGS2PLA2G2AMAPTMEN1RGS12 | |
| SCHEMBL8878924 | 0.74 | PLA2G2A (0.59) | PTGS2PLA2G2AMAPTPTGESALOX5 | |
| SCHEMBL3246296 | 0.72 | PTGS2 (0.59) | PTGS2PLA2G2AMAPTPTGESALOX5 | |
| SCHEMBL8876716 | 0.72 | PLA2G2A (0.59) | PTGS2PLA2G2AMAPTPTGESALOX5 | |
| SCHEMBL8877140 | 0.71 | PTGS2 (0.55) | PTGS2PLA2G2AMAPTPTGESALOX5 | |
| SCHEMBL9056716 | 0.71 | AKR1B1 (0.78) | AKR1B1AKR1A1MEN1CYP1A2CYP2C9 | |
| SCHEMBL8877352 | 0.71 | PTGS2 (0.53) | PTGS2PLA2G2AMAPTPTGESALOX5 | |
| SCHEMBL10488007 | 0.71 | AKR1B1 (0.85) | AKR1B1AKR1A1MEN1CYP1A2CYP2C9 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1996037467-A1 | N-BENZYLINDOL-3-YL BUTANOIC ACID DERIVATIVES AS CYCLOOXYGENASE-2 INHIBITORS | MERCK FROSST CANADA INC. (CA) | 1996-11-28 | — | — | WO | claimed |
| US-5639780-A | NON-STEROIDAL ANTIINFLAMMATORY AGENTS | MERCK FROSST CANADA, INC. (CA) | 1997-06-17 | — | — | US | disclosed |
| WO-1996037467-A1 | N-BENZYLINDOL-3-YL BUTANOIC ACID DERIVATIVES AS CYCLOOXYGENASE-2 INHIBITORS | MERCK FROSST CANADA INC. (CA) | 1996-11-28 | — | — | WO | disclosed |