Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 1/20 | 0.43 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.43 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | TNF | P01375 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | FFAR2 | O15552 | 1/20 | 0.37 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.35 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.35 |
| ▸ | CDC7 | O00311 | 1/20 | 0.35 |
| ▸ | PLK4 | O00444 | 1/20 | 0.35 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.35 |
| ▸ | DCLK1 | O15075 | 1/20 | 0.35 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.35 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.35 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.35 |
| ▸ | DYRK3 | O43781 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL8329884 | 1.00 | SLC6A2 (0.43) | SLC6A2SLC6A4SLC6A3CYP2C19TNF | |
| SCHEMBL623726 | 0.86 | SLC6A2 (0.44) | SLC6A2SLC6A4SLC6A3CYP2C19TNF | |
| SCHEMBL5879212 | 0.86 | CYP2C19 (0.60) | SLC6A2SLC6A4SLC6A3CYP2C19ALDH1A1 | |
| SCHEMBL624052 | 0.86 | CYP2C19 (0.60) | SLC6A2SLC6A4SLC6A3CYP2C19ALDH1A1 | |
| SCHEMBL5879216 | 0.86 | CYP2C19 (0.60) | SLC6A2SLC6A4SLC6A3CYP2C19ALDH1A1 | |
| SCHEMBL5879182 | 0.86 | SLC6A2 (0.44) | SLC6A2SLC6A4SLC6A3CYP2C19TNF | |
| SCHEMBL5879184 | 0.86 | SLC6A2 (0.44) | SLC6A2SLC6A4SLC6A3CYP2C19TNF | |
| SCHEMBL8067450 | 0.84 | ALDH1A1 (0.43) | SLC6A2SLC6A4SLC6A3CYP2C19ALDH1A1 | |
| SCHEMBL8067451 | 0.84 | ALDH1A1 (0.43) | SLC6A2SLC6A4SLC6A3CYP2C19ALDH1A1 | |
| SCHEMBL19803300 | 0.82 | FFAR2 (0.51) | CYP2C19LMNAFFAR2 |
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 |
|---|---|---|---|---|---|---|---|
| US-5962462-A | COMPOUNDS WHICH INHIBIT THE ENTRY OF HUMAN IMMUNODEFICIENCY VIRUS (HIV) INTO TARGET CELLS; DELAYING THE ONSET OF ACQUIRED IMMUNE DEFICIENCY SYNDROME (AIDS). | MERCK & CO., INC. (US) | 1999-10-05 | — | — | US | disclosed |
| WO-1998025605-A1 | SPIRO-SUBSTITUTED AZACYCLES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | MERCK & CO., INC. (US) | 1998-06-18 | — | — | WO | disclosed |