Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 2/20 | 0.50 |
| ▸ | RAB9A | P51151 | 2/20 | 0.48 |
| ▸ | MITF | O75030 | 1/20 | 0.48 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 4/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.42 |
| ▸ | TNKS | O95271 | 1/20 | 0.42 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.42 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.42 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.42 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.42 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.42 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.42 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.42 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.42 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.42 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL4264174 | 1.00 | ESR1 (0.50) | ESR1RAB9AMITFHSP90AA1MAPT | |
| Diphenylamine SCHEMBL4414722 | 0.92 | ESR1 (0.44) | ESR1RAB9AMITFHSP90AA1MAPT | |
| Diethylamine SCHEMBL4562983 | 0.89 | MAPT (0.43) | ESR1RAB9AMITFHSP90AA1MAPT | |
| SCHEMBL4552432 | 0.89 | MAPT (0.43) | ESR1RAB9AMITFHSP90AA1MAPT | |
| Methylpiperazine SCHEMBL4551702 | 0.87 | MAPT (0.44) | ESR1RAB9AMITFHSP90AA1MAPT | |
| SCHEMBL4277728 | 0.86 | MEN1 (0.45) | ESR1RAB9AMITFHSP90AA1MAPT | |
| SCHEMBL4269415 | 0.83 | TRPM8 (0.50) | ESR1RAB9AMITFHSP90AA1MAPT | |
| SCHEMBL4271682 | 0.81 | RAB9A (0.46) | ESR1RAB9AMITFHSP90AA1MAPT | |
| SCHEMBL4269301 | 0.81 | RAB9A (0.46) | ESR1RAB9AMITFHSP90AA1MAPT | |
| SCHEMBL4268093 | 0.81 | MITF (0.48) | RAB9AMITFHSP90AA1MAPTHDAC3 |
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 |