Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | POLB | P06746 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | MYC | P01106 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | PTGDR2 | Q9Y5Y4 | 2/20 | 0.39 |
| ▸ | DRD2 | P14416 | 2/20 | 0.39 |
| ▸ | TBXA2R | P21731 | 2/20 | 0.39 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.39 |
| ▸ | NTRK2 | Q16620 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | NPY1R | P25929 | 1/20 | 0.39 |
| ▸ | NPY2R | P49146 | 1/20 | 0.39 |
| ▸ | CNR1 | P21554 | 1/20 | 0.38 |
| ▸ | CNR2 | P34972 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL1707968 | 0.89 | TSHR (0.47) | ALDH1A1TSHRPOLBRAB9AMYC | |
| SCHEMBL1707881 | 0.87 | TSHR (0.46) | ALDH1A1TSHRPOLBRAB9AMYC | |
| SCHEMBL1707974 | 0.80 | MAPK1 (0.47) | ALDH1A1TSHRPOLBRAB9AMYC | |
| SCHEMBL1708039 | 0.79 | TSHR (0.45) | ALDH1A1TSHRPOLBRAB9AMYC | |
| SCHEMBL1708020 | 0.79 | L3MBTL1 (0.52) | ALDH1A1TSHRPOLBRAB9AMYC | |
| SCHEMBL1708054 | 0.77 | ALDH1A1 (0.48) | ALDH1A1TSHRPOLBRAB9AMYC | |
| SCHEMBL1708075 | 0.77 | TSHR (0.45) | ALDH1A1TSHRPOLBRAB9AMYC | |
| SCHEMBL1708052 | 0.75 | ALDH1A1 (0.48) | ALDH1A1TSHRPOLBRAB9AMYC | |
| SCHEMBL1708099 | 0.74 | ALDH1A1 (0.46) | ALDH1A1TSHRPOLBRAB9AMYC | |
| SCHEMBL1708016 | 0.74 | TSHR (0.57) | ALDH1A1TSHRPOLBMYCTP53 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2440541-A1 | NOVEL FUSED CYCLIC COMPOUND AND USE THEREOF | Takeda Pharmaceutical Company Limited (JP) | 2012-04-18 | — | — | EP | disclosed |
| WO-2010143733-A1 | NOVEL FUSED CYCLIC COMPOUND AND USE THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2010-12-16 | — | — | WO | disclosed |