Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK14 | Q16539 | 3/20 | 0.44 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.43 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.43 |
| ▸ | IP6K1 | Q92551 | 1/20 | 0.43 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.39 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.39 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.39 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.39 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.39 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| Dimethylamine SCHEMBL7878195 | 0.88 | MAPK14 (0.46) | MAPK14RIPK1MEN1HPGDKMT2A | |
| Morpholine SCHEMBL5306223 | 0.76 | MAPK14 (0.43) | MAPK14RIPK1OPRD1CYP2D6OPRK1 | |
| Dimethylamine SCHEMBL549140 | 0.74 | HDAC4 (0.48) | MAPK14HDAC4HDAC6IP6K1RIPK1 | |
| SCHEMBL5909057 | 0.74 | CA12 (0.58) | HDAC4HDAC6CA12CA9OPRD1 | |
| Dimethylamine SCHEMBL5963350 | 0.73 | HDAC4 (0.47) | MAPK14HDAC4HDAC6IP6K1RIPK1 | |
| Dimethylamine SCHEMBL7879579 | 0.71 | CYP2C19 (0.46) | IP6K1MEN1LMNAMAPTHPGD | |
| SCHEMBL13702393 | 0.70 | PLK1 (0.66) | HDAC6CA12CA9MEN1LMNA | |
| SCHEMBL17407652 | 0.70 | CA12 (0.51) | MAPK14HDAC4HDAC6CA12CA9 | |
| SCHEMBL13714817 | 0.70 | EPHX2 (0.60) | HDAC4HDAC6MEN1MAPTKMT2A | |
| Dimethylamine SCHEMBL6108538 | 0.70 | MAPT (0.59) | HDAC4HDAC6CA12CA9MEN1 |
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-2121684-A1 | SUBSTITUTED TETRAHYDROPYRROLOQUINOLINES | Merck Patent GmbH (DE) | 2009-11-25 | — | — | EP | disclosed |
| WO-2008113452-A1 | SUBSTITUTED TETRAHYDROPYRROLOQUINOLINES | MERCK PATENT GMBH (DE) | 2008-09-25 | — | — | WO | disclosed |
| WO-2004002430-A2 | COMBINATIONS FOR THE TREATMENT OF FUNGAL INFECTIONS | COMBINATORX INCORPORATED (US) | 2004-01-08 | — | — | WO | disclosed |