Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | PKM | P14618 | 2/20 | 0.44 |
| ▸ | POLB | P06746 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.37 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.37 |
| ▸ | HSD11B1 | P28845 | 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 | |
|---|---|---|---|---|
| SCHEMBL31218889 | 0.82 | AKT1 (0.42) | KMT2APKMPOLBNPC1RAB9A | |
| SCHEMBL9690903 | 0.73 | CHRM2 (0.51) | ALDH1A1NPC1RAB9ACA12CA9 | |
| SCHEMBL18429032 | 0.72 | CHRM2 (0.50) | ALDH1A1NPC1RAB9ACA12CA9 | |
| SCHEMBL29144839 | 0.70 | SIGMAR1 (0.44) | KMT2APOLBALDH1A1CA2 | |
| SCHEMBL3688187 | 0.69 | CYP2D6 (0.47) | KMT2APKMALDH1A1GAAHTT | |
| SCHEMBL643368 | 0.69 | PKM (0.70) | KMT2APKMPOLBALDH1A1GAA | |
| SCHEMBL6630975 | 0.69 | TDP1 (0.43) | KMT2AALDH1A1NPSR1GAANPC1 | |
| SCHEMBL6950556 | 0.69 | MAOB (0.46) | KMT2APOLBRAB9AMEN1 | |
| SCHEMBL13079967 | 0.68 | TSHR (0.46) | KMT2APKMPOLBALDH1A1NPSR1 | |
| SCHEMBL28614652 | 0.68 | ACHE (0.46) | KMT2APOLBALDH1A1GAAHTT |
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 3 patents. 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 |
| EP-1551829-A2 | NOVEL COMPOUNDS WITH ANTIBACTERIAL ACTIVITY | Morphochem Aktiengesellschaft Für Kombinatorische Chemie (DE) | 2005-07-13 | — | — | EP | disclosed |
| WO-2004035569-A2 | NOVEL COMPOUNDS WITH ANTIBACTERIAL ACTIVITY | Morphochem Aktiengesellschaft für kombinatorische Chemie (DE) | 2004-04-29 | — | — | WO | disclosed |