Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 3/20 | 0.43 |
| ▸ | ESR1 | P03372 | 2/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 4/20 | 0.40 |
| ▸ | MITF | O75030 | 1/20 | 0.40 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 2/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 3/20 | 0.37 |
| ▸ | MAOB | P27338 | 2/20 | 0.37 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | EGFR | P00533 | 2/20 | 0.35 |
| ▸ | MMP1 | P03956 | 2/20 | 0.35 |
| ▸ | MMP2 | P08253 | 2/20 | 0.35 |
| ▸ | MMP9 | P14780 | 2/20 | 0.35 |
| ▸ | MAOA | P21397 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| Diphenylamine SCHEMBL4414722 | 0.90 | ESR1 (0.44) | MAPTESR1GAARAB9AMITF | |
| SCHEMBL4264174 | 0.89 | ESR1 (0.50) | MAPTESR1GAARAB9AMITF | |
| SCHEMBL4551139 | 0.89 | ESR1 (0.50) | MAPTESR1GAARAB9AMITF | |
| Diethylamine SCHEMBL4562983 | 0.82 | MAPT (0.43) | MAPTESR1GAARAB9AMITF | |
| SCHEMBL4412018 | 0.81 | MMP1 (0.53) | MAPTRAB9ANPC1MAOBKMT2A | |
| Methylpiperazine SCHEMBL4551702 | 0.78 | MAPT (0.44) | MAPTESR1GAARAB9AMITF | |
| SCHEMBL4418306 | 0.78 | MMP1 (0.53) | MAPTESR1GAARAB9AL3MBTL1 | |
| SCHEMBL4277728 | 0.77 | MEN1 (0.45) | MAPTESR1GAARAB9AMITF | |
| SCHEMBL4268486 | 0.76 | MMP1 (0.53) | MAPTESR1GAARAB9ANPC1 | |
| SCHEMBL4266901 | 0.76 | RAB9A (0.48) | MAPTRAB9AMITFHSP90AA1CYP3A4 |
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 |