Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.60 |
| ▸ | HTT | P42858 | 1/20 | 0.60 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.58 |
| ▸ | CNR2 | P34972 | 2/20 | 0.57 |
| ▸ | NPC1 | O15118 | 4/20 | 0.56 |
| ▸ | RAB9A | P51151 | 3/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.54 |
| ▸ | MEN1 | O00255 | 2/20 | 0.54 |
| ▸ | LMNA | P02545 | 2/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.54 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.54 |
| ▸ | GAA | P10253 | 1/20 | 0.52 |
| ▸ | MLLT1 | Q03111 | 3/20 | 0.52 |
| ▸ | MLLT3 | P42568 | 2/20 | 0.52 |
| ▸ | CNR1 | P21554 | 2/20 | 0.51 |
| ▸ | MAPT | P10636 | 2/20 | 0.51 |
| ▸ | MAOB | P27338 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL10052386 | 0.86 | KDM4E (0.61) | KDM4EHTTS1PR1CNR2NPC1 | |
| SCHEMBL24859037 | 0.79 | MAPK8 (0.57) | KDM4EHTTS1PR1NPC1RAB9A | |
| SCHEMBL10051966 | 0.76 | CHEK1 (0.51) | CNR2NPC1RAB9AKMT2AMEN1 | |
| SCHEMBL4201226 | 0.76 | KDM4E (0.98) | KDM4EHTTS1PR1CNR2KMT2A | |
| SCHEMBL14970878 | 0.76 | KDM4E (0.75) | KDM4ERAB9AKMT2AMEN1LMNA | |
| SCHEMBL1718809 | 0.75 | KDM4E (1.00) | KDM4EHTTNPC1RAB9AKMT2A | |
| SCHEMBL4737182 | 0.75 | KDM4E (0.78) | KDM4EHTTS1PR1CNR2RAB9A | |
| SCHEMBL983902 | 0.74 | MCL1 (0.59) | KDM4EKMT2AMEN1LMNAALDH1A1 | |
| SCHEMBL13902147 | 0.74 | S1PR1 (1.00) | S1PR1NPC1RAB9AKMT2AMEN1 | |
| SCHEMBL24859036 | 0.74 | NPC1 (0.64) | KDM4EHTTNPC1RAB9AKMT2A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012019299-A1 | HEPATITIS C INHIBITOR COMPOUNDS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2012-02-16 | — | — | WO | disclosed |