Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MTNR1A | P48039 | 3/20 | 0.42 |
| ▸ | MTNR1B | P49286 | 3/20 | 0.42 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.39 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.39 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.39 |
| ▸ | SLC2A1 | P11166 | 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 | |
|---|---|---|---|---|
| SCHEMBL5650079 | 0.85 | MTNR1A (0.46) | MTNR1AMTNR1BROCK2KCNH2LMNA | |
| SCHEMBL3685788 | 0.82 | ROCK2 (0.42) | MTNR1AMTNR1BROCK2KCNH2LMNA | |
| SCHEMBL3694768 | 0.75 | LMNA (0.46) | MTNR1AMTNR1BKCNH2LMNAKDM4E | |
| SCHEMBL5646708 | 0.72 | MTNR1A (0.46) | MTNR1AMTNR1BROCK2KCNH2LMNA | |
| SCHEMBL5652689 | 0.70 | MTNR1A (0.46) | MTNR1AMTNR1BROCK2KCNH2LMNA | |
| SCHEMBL3697078 | 0.70 | LMNA (0.40) | MTNR1AMTNR1BROCK2KCNH2LMNA | |
| SCHEMBL3686548 | 0.69 | KCNH2 (0.52) | KCNH2 | |
| SCHEMBL5650088 | 0.67 | SLC2A1 (0.56) | KCNH2CYP2D6KDM4EALDH1A1HPGD | |
| SCHEMBL5650094 | 0.67 | SLC2A1 (0.56) | KCNH2CYP2D6KDM4EALDH1A1HPGD | |
| SCHEMBL3691395 | 0.67 | LMNA (0.39) | MTNR1AMTNR1BROCK2KCNH2LMNA |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2239260-A1 | Novel compounds with antibacterial activity | Morphochem Aktiengesellschaft Für Kombinatorische Chemie (DE) | 2010-10-13 | — | — | EP | disclosed |