Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.49 |
| ▸ | POLB | P06746 | 2/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | USP2 | O75604 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | RECQL | P46063 | 1/20 | 0.44 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.41 |
| ▸ | AURKA | O14965 | 1/20 | 0.41 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.41 |
| ▸ | JAK2 | O60674 | 1/20 | 0.41 |
| ▸ | ABL1 | P00519 | 1/20 | 0.41 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL17170051 | 0.83 | ADRA2C (0.52) | ALDH1A1POLBHPGDRECQLSMN1; SMN2 | |
| SCHEMBL13869087 | 0.83 | CYP3A4 (0.46) | POLBHPGDRECQL | |
| SCHEMBL7355242 | 0.82 | ALDH1A1 (0.54) | ALDH1A1POLBMEN1USP2MAPT | |
| SCHEMBL14594642 | 0.82 | ALDH1A1 (0.59) | ALDH1A1POLBMEN1USP2MAPT | |
| SCHEMBL13747694 | 0.80 | ADRA2C (0.49) | ALDH1A1POLBHPGDRECQLSMN1; SMN2 | |
| SCHEMBL13869047 | 0.80 | HPGD (0.47) | POLBHPGDRECQL | |
| SCHEMBL14798995 | 0.79 | CA12 (0.57) | ALDH1A1POLBMEN1KMT2AHPGD | |
| SCHEMBL9114491 | 0.78 | POLB (0.77) | ALDH1A1POLBMEN1MAPTKMT2A | |
| SCHEMBL8562747 | 0.76 | LMNA (0.47) | ALDH1A1POLBMEN1KMT2AHPGD | |
| SCHEMBL1474479 | 0.75 | HPGD (0.63) | ALDH1A1MEN1KMT2AHPGDRECQL |
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 |
|---|---|---|---|---|---|---|---|
| WO-1995014469-A1 | NOVEL SPIROCYCLES | MERCK & CO., INC. (US) | 1995-06-01 | — | — | WO | disclosed |
| US-5403846-A | Antiarrhythmic agents | MERCK & CO., INC. (US) | 1995-04-04 | — | — | US | disclosed |