Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 14/20 | 0.41 |
| ▸ | CA1 | P00915 | 12/20 | 0.40 |
| ▸ | CA12 | O43570 | 8/20 | 0.40 |
| ▸ | CA9 | Q16790 | 8/20 | 0.40 |
| ▸ | ACHE | P22303 | 2/20 | 0.40 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | CA5A | P35218 | 1/20 | 0.38 |
| ▸ | CA7 | P43166 | 2/20 | 0.38 |
| ▸ | CA4 | P22748 | 1/20 | 0.38 |
| ▸ | HTR6 | P50406 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.36 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL28748873 | 0.83 | CA1 (0.39) | CA2CA1CA12CA9ACHE | |
| SCHEMBL4602519 | 0.81 | CA1 (0.38) | CA2CA1CA12CA9ACHE | |
| SCHEMBL28690137 | 0.77 | HTR6 (0.57) | CA2CA1CA12CA9CA14 | |
| SCHEMBL28246655 | 0.75 | CA2 (0.39) | CA2CA1CA12CA9ACHE | |
| SCHEMBL27590434 | 0.72 | CA1 (0.45) | CA2CA1CA12CA9CA14 | |
| SCHEMBL7471136 | 0.72 | CDK2 (0.39) | CA2CA1CA12CA9CA14 | |
| SCHEMBL5510640 | 0.71 | CA1 (0.35) | CA2CA1CA12CA9CA14 | |
| SCHEMBL20964725 | 0.71 | CA1 (0.34) | CA2CA1CA12CA9CA14 | |
| SCHEMBL1905580 | 0.71 | SMN1; SMN2 (0.55) | CA2CA12CA9CA14LMNA | |
| SCHEMBL4261664 | 0.70 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1194417-A1 | PHENOXY FLUOROPYRIMIDINES | BAYER AG (DE) | 2002-04-10 | — | — | EP | claimed |
| WO-2000078733-A1 | PHENOXY FLUOROPYRIMIDINES | BAYER AKTIENGESELLSCHAFT (DE) | 2000-12-28 | — | — | WO | claimed |
| EP-1194417-A1 | PHENOXY FLUOROPYRIMIDINES | BAYER AG (DE) | 2002-04-10 | — | — | EP | disclosed |
| WO-2000078733-A1 | PHENOXY FLUOROPYRIMIDINES | BAYER AKTIENGESELLSCHAFT (DE) | 2000-12-28 | — | — | WO | disclosed |