Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 3/20 | 0.65 |
| ▸ | LMNA | P02545 | 2/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.55 |
| ▸ | TSHR | P16473 | 2/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.55 |
| ▸ | PMP22 | Q01453 | 2/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.55 |
| ▸ | BLM | P54132 | 1/20 | 0.55 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.55 |
| ▸ | MEN1 | O00255 | 1/20 | 0.53 |
| ▸ | RGS12 | O14924 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.53 |
| ▸ | MAPT | P10636 | 1/20 | 0.53 |
| ▸ | PKM | P14618 | 1/20 | 0.53 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.53 |
| ▸ | GNAI1 | P63096 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL29454970 | 0.90 | PTGS2 (0.74) | PTGS2LMNACYP1A2CYP3A4CYP2C9 | |
| SCHEMBL8875517 | 0.90 | PTGS2 (0.74) | PTGS2LMNACYP1A2CYP3A4CYP2C9 | |
| SCHEMBL7070915 | 0.90 | PTGS2 (0.74) | PTGS2LMNACYP1A2CYP3A4CYP2C9 | |
| SCHEMBL29749112 | 0.90 | PTGS2 (0.74) | PTGS2LMNACYP1A2CYP3A4CYP2C9 | |
| SCHEMBL7070911 | 0.90 | PTGS2 (0.74) | PTGS2LMNACYP1A2CYP3A4CYP2C9 | |
| SCHEMBL8886089 | 0.89 | LMNA (0.53) | PTGS2LMNACYP1A2CYP3A4CYP2C9 | |
| SCHEMBL8876660 | 0.89 | PTGS2 (0.65) | PTGS2LMNACYP1A2CYP3A4CYP2C9 | |
| SCHEMBL8879040 | 0.89 | PTGS2 (0.67) | PTGS2LMNACYP1A2CYP3A4CYP2C9 | |
| SCHEMBL8877441 | 0.86 | PTGS2 (0.79) | PTGS2LMNACYP1A2CYP3A4CYP2C9 | |
| SCHEMBL8875348 | 0.86 | PTGS2 (0.60) | PTGS2LMNACYP1A2CYP3A4CYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| 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 |