Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP8 | P22894 | 2/20 | 0.44 |
| ▸ | MMP1 | P03956 | 1/20 | 0.44 |
| ▸ | MMP2 | P08253 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | GMNN | O75496 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | BLM | P54132 | 1/20 | 0.37 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Cyclohexylamine SCHEMBL10905650 | 0.85 | MMP8 (0.41) | MMP8MMP1MMP2 | |
| Cyclohexylamine SCHEMBL6344627 | 0.84 | — | — | |
| Cycloheptanamine SCHEMBL2204676 | 0.84 | THRB (0.41) | MMP8MMP1MMP2ALDH1A1 | |
| Cyclohexylamine SCHEMBL29005087 | 0.84 | MMP8 (0.44) | MMP8MMP1MMP2TP53ALDH1A1 | |
| Cyclohexylamine SCHEMBL11565837 | 0.83 | TP53 (0.50) | MMP8MMP1MMP2TP53SMN1; SMN2 | |
| Cyclohexylamine SCHEMBL9802353 | 0.81 | SHBG (0.42) | MMP8MMP1MMP2TP53KDM4E | |
| Cycloheptanamine SCHEMBL6866616 | 0.81 | THRB (0.44) | MMP8MMP1ALDH1A1 | |
| Cyclooctanamine SCHEMBL6863778 | 0.81 | THRB (0.44) | MMP8MMP1ALDH1A1 | |
| Cyclohexylamine SCHEMBL1679773 | 0.81 | — | — | |
| Cyclohexylamine SCHEMBL8154944 | 0.81 | THRB (0.44) | MMP8MMP1ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2077996-A1 | PURIFICATION PROCESS OF MONTELUKAST AND ITS AMINE SALTS | ESTEVE QUIMICA, S.A. (ES) | 2009-07-15 | — | — | EP | disclosed |
| WO-2008017669-A1 | PURIFICATION PROCESS OF MONTELUKAST AND ITS AMINE SALTS | ESTEVE QUÍMICA, S. A. (ES) | 2008-02-14 | — | — | WO | disclosed |
| US-4771062-A | ENZYME INHIBITORS | BAYER AKTIENGESELLSCHAFT (DE) | 1988-09-13 | — | — | US | disclosed |
| EP-0240680-A1 | Diaryl sulfide derivatives | BAYER AG (DE) | 1987-10-14 | — | — | EP | disclosed |