Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 2/20 | 0.49 |
| ▸ | MAPT | P10636 | 3/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | CES1 | P23141 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | PTAFR | P25105 | 1/20 | 0.36 |
| ▸ | MAOB | P27338 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.35 |
| ▸ | RET | P07949 | 1/20 | 0.35 |
| ▸ | CHRM2 | P08172 | 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 | |
|---|---|---|---|---|
| SCHEMBL4263444 | 1.00 | ESR1 (0.49) | ESR1MAPTGAATSHRALDH1A1 | |
| SCHEMBL4271682 | 0.83 | RAB9A (0.46) | ESR1MAPTGAATDP1L3MBTL1 | |
| SCHEMBL4269301 | 0.83 | RAB9A (0.46) | ESR1MAPTGAATDP1L3MBTL1 | |
| SCHEMBL2063760 | 0.79 | ESR1 (0.54) | ESR1MAPTGAATDP1L3MBTL1 | |
| SCHEMBL29952458 | 0.79 | ESR1 (0.54) | ESR1MAPTGAATDP1L3MBTL1 | |
| SCHEMBL4412530 | 0.77 | MAPT (0.43) | ESR1MAPTGAAALDH1A1TDP1 | |
| SCHEMBL4412532 | 0.77 | MAPT (0.43) | ESR1MAPTGAAALDH1A1TDP1 | |
| SCHEMBL4410195 | 0.74 | MAPT (0.41) | ESR1MAPTGAAALDH1A1TDP1 | |
| SCHEMBL4410193 | 0.74 | MAPT (0.41) | ESR1MAPTGAAALDH1A1TDP1 | |
| SCHEMBL2063819 | 0.74 | ESR1 (0.66) | ESR1MAPTGAATDP1L3MBTL1 |
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 |