Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 1/20 | 0.71 |
| ▸ | CNR2 | P34972 | 10/20 | 0.49 |
| ▸ | CNR1 | P21554 | 4/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | C5AR1 | P21730 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | TSPO | P30536 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL11362594 | 0.91 | CYP2C19 (0.55) | CYP2C19CNR2TSHRGAAKDM4E | |
| SCHEMBL9638033 | 0.88 | TSHR (0.57) | CYP2C19CNR2TSHRGAAALDH1A1 | |
| SCHEMBL11136763 | 0.84 | CYP2C19 (1.00) | CYP2C19CNR2CNR1TSHRALDH1A1 | |
| SCHEMBL1677966 | 0.83 | CYP2C19 (0.47) | CYP2C19CNR2TSHRGAAKDM4E | |
| SCHEMBL2516873 | 0.83 | SLC6A2 (0.49) | CYP2C19TSHRALDH1A1HTT | |
| SCHEMBL544100 | 0.82 | ALDH1A1 (0.48) | CYP2C19CNR2CNR1TSHRC5AR1 | |
| SCHEMBL15159187 | 0.79 | CYP2C19 (0.89) | CYP2C19CNR2CNR1TSHRALDH1A1 | |
| SCHEMBL11735496 | 0.79 | CYP2C19 (0.81) | CYP2C19CNR2CNR1TSHRKDM4E | |
| SCHEMBL15456984 | 0.78 | CYP2C19 (0.88) | CYP2C19CNR2CNR1TSHRALDH1A1 | |
| SCHEMBL12763733 | 0.77 | CYP2C19 (0.85) | CYP2C19CNR2CNR1TSHRKDM4E |
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-5229381-A | Inhibitors of leukocyte enzyme elastase | MERCK & CO., INC. (US) | 1993-07-20 | — | — | US | disclosed |
| EP-0481671-A1 | New substituted azetidinones as anti-inflammatory and antidegenerative agents | MERCK & CO. INC. (US) | 1992-04-22 | — | — | EP | disclosed |