Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.46 |
| ▸ | PDE5A | O76074 | 11/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | BCDIN3D | Q7Z5W3 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | PRKCI | P41743 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL5115035 | 0.96 | ESR1 (0.48) | ESR1PDE5ABCDIN3DMEN1KMT2A | |
| SCHEMBL7522368 | 0.94 | ALDH1A1 (0.47) | ESR1ALDH1A1HPGDSMN1; SMN2MEN1 | |
| SCHEMBL7516802 | 0.91 | ALDH1A1 (0.56) | ESR1PDE5AALDH1A1HPGDSMN1; SMN2 | |
| SCHEMBL5119865 | 0.88 | MEN1 (0.52) | ESR1ALDH1A1MEN1KMT2APRKCI | |
| SCHEMBL5122543 | 0.87 | ALDH1A1 (0.52) | ESR1PDE5AALDH1A1HPGDSMN1; SMN2 | |
| SCHEMBL7512225 | 0.86 | NPC1 (0.44) | ESR1PDE5AHPGDSMN1; SMN2BCDIN3D | |
| SCHEMBL5120732 | 0.86 | ESR1 (0.53) | ESR1PRKCI | |
| SCHEMBL8171015 | 0.85 | ESR1 (0.47) | ESR1PDE5ABCDIN3DMEN1KMT2A | |
| SCHEMBL8169472 | 0.85 | ESR1 (0.47) | ESR1PDE5ABCDIN3DMEN1KMT2A | |
| SCHEMBL5809020 | 0.84 | ALDH1A1 (0.61) | ESR1PDE5AALDH1A1HPGDSMN1; SMN2 |
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-1685136-A1 | USE OF THIENOPYRIMIDINES | MERCK PATENT GmbH (DE) | 2006-08-02 | — | — | EP | disclosed |
| WO-2005047292-A1 | USE OF THIENOPYRIMIDINES | MERCK PATENT GMBH (DE) | 2005-05-26 | — | — | WO | disclosed |