Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR5 | P51681 | 11/20 | 0.58 |
| ▸ | GBA1 | P04062 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL11858188 | 0.75 | PSIP1 (0.46) | CCR5GBA1ALDH1A1HTTGAA | |
| SCHEMBL8331590 | 0.75 | CCR5 (0.65) | CCR5GBA1ALDH1A1TSHRL3MBTL1 | |
| SCHEMBL6774616 | 0.74 | CCR5 (0.63) | CCR5GBA1ALDH1A1LMNAGAA | |
| SCHEMBL8126233 | 0.74 | LMNA (0.41) | CCR5ALDH1A1LMNA | |
| SCHEMBL10593266 | 0.73 | CCR5 (0.51) | CCR5ALDH1A1TSHRL3MBTL1TP53 | |
| SCHEMBL5857464 | 0.73 | CCR5 (0.75) | CCR5GBA1ALDH1A1TSHRL3MBTL1 | |
| SCHEMBL8331457 | 0.73 | CCR5 (0.75) | CCR5GBA1ALDH1A1TSHRL3MBTL1 | |
| SCHEMBL12077041 | 0.73 | CCR5 (0.61) | CCR5GBA1ALDH1A1HTTLMNA | |
| SCHEMBL27850787 | 0.73 | ALDH1A1 (0.39) | ALDH1A1 | |
| SCHEMBL8580567 | 0.73 | CYP24A1 (0.35) | ALDH1A1HTTLMNAMAPT |
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 |