Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | CA5A | P35218 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | CES1 | P23141 | 1/20 | 0.39 |
| ▸ | NR1H2 | P55055 | 2/20 | 0.39 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.39 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.38 |
| ▸ | PTPN1 | P18031 | 3/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | RORC | P51449 | 2/20 | 0.35 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.35 |
| ▸ | NR3C2 | P08235 | 2/20 | 0.33 |
| ▸ | FAAH | O00519 | 1/20 | 0.33 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.33 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.33 |
| ▸ | ELANE | P08246 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8646916 | 0.83 | CA1 (0.47) | CA1CA2CA5ACA9ALDH1A1 | |
| SCHEMBL8627657 | 0.75 | CA1 (0.37) | CA1CA2CA5ACA9ALDH1A1 | |
| SCHEMBL422833 | 0.74 | ALDH1A1 (0.46) | CA1CA2CA5ACA9ALDH1A1 | |
| SCHEMBL5700090 | 0.70 | NR3C2 (0.41) | CA1CA2CA5ACA9ALDH1A1 | |
| SCHEMBL28268336 | 0.69 | ALDH1A1 (0.50) | CA1CA2CA5ACA9ALDH1A1 | |
| SCHEMBL914885 | 0.69 | ALDH1A1 (0.50) | CA1CA2CA5ACA9ALDH1A1 | |
| SCHEMBL10982413 | 0.69 | CES1 (0.47) | ALDH1A1TSHRCES1KCNN4KMT2A | |
| SCHEMBL1150460 | 0.69 | CES1 (0.47) | ALDH1A1TSHRCES1KCNN4PTPN1 | |
| SCHEMBL11686122 | 0.69 | CES1 (0.47) | ALDH1A1TSHRCES1KCNN4PTPN1 | |
| SCHEMBL1194428 | 0.68 | CES1 (0.42) | CA1CA2CA5ACA9ALDH1A1 |
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-0846119-A1 | THIENOPYRIMIDINE DERIVATIVES, THEIR PRODUCTION AND USE | Takeda Chemical Industries, Ltd. (JP) | 1998-06-10 | — | — | EP | disclosed |
| WO-1997007119-A1 | THIENOPYRIMIDINE DERIVATIVES, THEIR PRODUCTION AND USE | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1997-02-27 | — | — | WO | disclosed |