Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.62 |
| ▸ | HTR1B | P28222 | 5/20 | 0.42 |
| ▸ | CA2 | P00918 | 4/20 | 0.40 |
| ▸ | CA12 | O43570 | 3/20 | 0.40 |
| ▸ | CTNNB1 | P35222 | 4/20 | 0.39 |
| ▸ | WNT3A | P56704 | 4/20 | 0.39 |
| ▸ | DYRK1A | Q13627 | 4/20 | 0.39 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.38 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.38 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.38 |
| ▸ | CDK9 | P50750 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL8993825 | 0.79 | CYP2A6 (0.50) | CYP2A6HTR1BCA2CA12CTNNB1 | |
| SCHEMBL8993815 | 0.79 | CYP2A6 (0.50) | CYP2A6HTR1BCA2CA12CTNNB1 | |
| SCHEMBL719619 | 0.77 | CYP2A6 (1.00) | CYP2A6HTR1BCA2CA12CTNNB1 | |
| SCHEMBL8052991 | 0.77 | CYP2A6 (0.66) | CYP2A6HTR1BCA2CA12CTNNB1 | |
| SCHEMBL15676441 | 0.74 | CYP2A6 (0.61) | CYP2A6HTR1BCA2CA12CTNNB1 | |
| SCHEMBL5029999 | 0.73 | CYP2A6 (0.66) | CYP2A6HTR1BCA2CA12CTNNB1 | |
| SCHEMBL6599379 | 0.73 | CYP2A6 (0.66) | CYP2A6HTR1BCTNNB1WNT3ADYRK1A | |
| SCHEMBL9234283 | 0.71 | CYP2A6 (0.53) | CYP2A6HTR1BCA2CA12CTNNB1 | |
| SCHEMBL5358981 | 0.71 | ALDH1A1 (0.37) | CYP2A6 | |
| SCHEMBL3792011 | 0.70 | HTR1B (0.55) | CYP2A6HTR1BCA2CA12CTNNB1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5348953-A | Elastase inhibitor | MERCK & CO., INC. (US) | 1994-09-20 | — | — | US | disclosed |
| WO-1994013636-A1 | NEW SUBSTITUTED AZETIDINONES AS ANTI-INFLAMMATORY AND ANTIDEGENERATIVE AGENTS | MERCK & CO., INC. (US) | 1994-06-23 | — | — | WO | disclosed |
| EP-0525973-A2 | Substituted azetidinones as anti-inflammatory and antidegenerative agents | MERCK & CO. INC. (US) | 1993-02-03 | — | — | EP | disclosed |
| WO-1993000332-A1 | SUBSTITUTED AZETIDINONES AS ANTI-INFLAMMATORY AND ANTIDEGENERATIVE AGENTS | MERCK & CO., INC. (US) | 1993-01-07 | — | — | WO | disclosed |