Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCNB2 | O95067 | 1/20 | 0.35 |
| ▸ | CCNE2 | O96020 | 1/20 | 0.35 |
| ▸ | CDK1 | P06493 | 1/20 | 0.35 |
| ▸ | CDK4 | P11802 | 1/20 | 0.35 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.35 |
| ▸ | CCND1 | P24385 | 1/20 | 0.35 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.35 |
| ▸ | CDK2 | P24941 | 1/20 | 0.35 |
| ▸ | CCND2 | P30279 | 1/20 | 0.35 |
| ▸ | CCND3 | P30281 | 1/20 | 0.35 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | METTL3 | Q86U44 | 1/20 | 0.33 |
| ▸ | OXTR | P30559 | 1/20 | 0.33 |
| ▸ | AVPR1A | P37288 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 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 | |
|---|---|---|---|---|
| SCHEMBL19049395 | 0.77 | HRH4 (0.41) | ALDH1A1NPSR1OXTRAVPR1ATP53 | |
| SCHEMBL21740798 | 0.77 | HPGD (0.44) | KMT2AALDH1A1MEN1 | |
| SCHEMBL9580986 | 0.72 | LOXL2 (0.41) | ALDH1A1NPSR1OXTRAVPR1ATP53 | |
| SCHEMBL21800101 | 0.71 | ANPEP (0.39) | KMT2AMEN1CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL23474625 | 0.71 | MEN1 (0.50) | KMT2AMEN1TP53TDP1CYP3A4 | |
| SCHEMBL6466885 | 0.69 | — | — | |
| SCHEMBL21202157 | 0.69 | CHRM2 (0.53) | ALDH1A1NPSR1POLBKDM4ELMNA | |
| SCHEMBL9287210 | 0.69 | OXTR (0.35) | ALDH1A1OXTRAVPR1APOLBCYP3A4 | |
| SCHEMBL23398030 | 0.69 | ESR1 (0.54) | ALDH1A1BRS3KDM4E | |
| SCHEMBL19002501 | 0.68 | HPGD (0.59) | ALDH1A1LMNA |
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-1562595-A1 | DIARYL ETHERS AS OPIOID RECEPTOR ANTAGONISTS | ELI LILLY AND COMPANY (US) | 2005-08-17 | — | — | EP | disclosed |
| WO-2004026305-A1 | DIARYL ETHERS AS OPIOID RECEPTOR ANTAGONIST | ELI LILLY AND COMPANY (US) | 2004-04-01 | — | — | WO | disclosed |