Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | GAA | P10253 | 2/20 | 0.42 |
| ▸ | MITF | O75030 | 2/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.42 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.39 |
| ▸ | MAPK14 | Q16539 | 5/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | XBP1 | P17861 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL4551139 | 0.92 | ESR1 (0.50) | ESR1MAPTGAAMITFRAB9A | |
| SCHEMBL4264174 | 0.92 | ESR1 (0.50) | ESR1MAPTGAAMITFRAB9A | |
| SCHEMBL4552432 | 0.90 | MAPT (0.43) | ESR1MAPTGAAMITFRAB9A | |
| Diethylamine SCHEMBL4562983 | 0.85 | MAPT (0.43) | ESR1MAPTGAAMITFRAB9A | |
| Methylpiperazine SCHEMBL4551702 | 0.80 | MAPT (0.44) | ESR1MAPTGAAMITFRAB9A | |
| SCHEMBL4277728 | 0.79 | MEN1 (0.45) | ESR1MAPTGAAMITFRAB9A | |
| SCHEMBL4269415 | 0.76 | TRPM8 (0.50) | ESR1MAPTGAAMITFRAB9A | |
| SCHEMBL4410001 | 0.76 | MMP1 (0.53) | ESR1MAPTRAB9AMEN1NPC1 | |
| SCHEMBL4412018 | 0.75 | MMP1 (0.53) | MAPTRAB9AMEN1NPC1LMNA | |
| SCHEMBL4418306 | 0.75 | MMP1 (0.53) | ESR1MAPTGAARAB9ANPC1 |
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-2009110002-A1 | NOVEL EFFLUX PUMP INHIBITORS | COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) | 2009-09-11 | — | — | WO | disclosed |