Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | CA12 | O43570 | 3/20 | 0.35 |
| ▸ | CA1 | P00915 | 3/20 | 0.35 |
| ▸ | CA2 | P00918 | 3/20 | 0.35 |
| ▸ | CA7 | P43166 | 3/20 | 0.35 |
| ▸ | CA9 | Q16790 | 3/20 | 0.35 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.35 |
| ▸ | ESR1 | P03372 | 1/20 | 0.35 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.34 |
| ▸ | LMNA | P02545 | 3/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.34 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | MAOA | P21397 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL2237906 | 1.00 | TSHR (0.37) | TSHRCA12CA1CA2CA7 | |
| SCHEMBL2235294 | 0.83 | TSHR (0.36) | TSHRCA12CA1CA2CA7 | |
| SCHEMBL13045029 | 0.83 | TSHR (0.36) | TSHRCA12CA1CA2CA7 | |
| SCHEMBL18204555 | 0.78 | GSK3B (0.33) | TSHRCA12CA1CA2CA7 | |
| SCHEMBL10177987 | 0.76 | TLR4 (0.40) | TSHRCA1CA2KDM4ELMNA | |
| SCHEMBL2784270 | 0.75 | TLR4 (0.45) | TSHRCA12CA1CA2CA7 | |
| SCHEMBL8746923 | 0.72 | TLR4 (0.47) | TSHRCA12CA1CA2CA7 | |
| SCHEMBL1005971 | 0.67 | TSHR (0.36) | TSHRCA12CA1CA2CA7 | |
| SCHEMBL11796042 | 0.66 | TSHR (0.45) | TSHRCA12CA1CA2CA7 | |
| SCHEMBL18384422 | 0.66 | ALDH1A1 (0.42) | TSHRESR1KDM4ELMNACYP3A4 |
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-2011093512-A1 | COMPOUNDS FOR SUPPRESSING A PERIPHERAL NERVE DISORDER INDUCED BY AN ANTI - CANCER AGENT | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2011-08-04 | — | — | WO | disclosed |