Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1B | P28222 | 4/20 | 0.40 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.39 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.39 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.37 |
| ▸ | FDFT1 | P37268 | 2/20 | 0.35 |
| ▸ | EPM2A | O95278 | 1/20 | 0.35 |
| ▸ | PTPRC | P08575 | 1/20 | 0.35 |
| ▸ | PTPN6 | P29350 | 1/20 | 0.35 |
| ▸ | CDC14A | Q9UNH5 | 1/20 | 0.35 |
| ▸ | PTPN22 | Q9Y2R2 | 1/20 | 0.35 |
| ▸ | CTNNB1 | P35222 | 3/20 | 0.35 |
| ▸ | WNT3A | P56704 | 3/20 | 0.35 |
| ▸ | MIF | P14174 | 2/20 | 0.33 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.33 |
| ▸ | IDO1 | P14902 | 1/20 | 0.33 |
| ▸ | NAAA | Q02083 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL331162 | 0.76 | MIF (0.52) | CHRM2CHRM1CHRM3MIFNAAA | |
| SCHEMBL5541406 | 0.75 | HTR1B (0.41) | HTR1BCHRM2CHRM1CHRM3CYP2A6 | |
| SCHEMBL826348 | 0.75 | HTR1B (0.46) | HTR1BCHRM2CHRM1CHRM3CYP2A6 | |
| SCHEMBL7472414 | 0.75 | HTR1B (0.51) | HTR1BCHRM2CHRM1CHRM3 | |
| SCHEMBL9564539 | 0.75 | HTR1B (0.46) | HTR1BCHRM2CHRM1CHRM3CYP2A6 | |
| SCHEMBL9163264 | 0.75 | HDAC1 (0.51) | CYP2A6MIFNAAA | |
| SCHEMBL28493440 | 0.74 | HTR1B (0.50) | HTR1BCHRM2CHRM1CHRM3 | |
| SCHEMBL25742668 | 0.73 | HTR1B (0.47) | HTR1BCHRM2CHRM1CHRM3CYP2A6 | |
| SCHEMBL28326818 | 0.73 | HTR1B (0.47) | HTR1BCHRM2CHRM1CHRM3CYP2A6 | |
| SCHEMBL1603347 | 0.73 | HTR1B (0.53) | HTR1BCHRM2CHRM1CHRM3CYP2A6 |
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 |