Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GID4 | Q8IVV7 | 1/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.57 |
| ▸ | HAO1 | Q9UJM8 | 1/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.50 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | HTT | P42858 | 2/20 | 0.46 |
| ▸ | IGF1R | P08069 | 1/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | TAS1R3 | Q7RTX0 | 3/20 | 0.45 |
| ▸ | TAS1R1 | Q7RTX1 | 3/20 | 0.45 |
| ▸ | TAS1R2 | Q8TE23 | 3/20 | 0.45 |
| ▸ | XBP1 | P17861 | 1/20 | 0.43 |
| ▸ | DRD3 | P35462 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL8527467 | 0.85 | HAO1 (0.64) | GID4ALDH1A1HAO1MAPK1MAPK14 | |
| SCHEMBL7079687 | 0.80 | HAO1 (0.77) | GID4ALDH1A1HAO1MAPK1MAPK14 | |
| SCHEMBL7074452 | 0.78 | HAO1 (0.56) | GID4ALDH1A1HAO1MAPK1MAPK14 | |
| SCHEMBL15874732 | 0.76 | ALDH1A1 (0.46) | ALDH1A1LMNAKMT2AALOX15MEN1 | |
| SCHEMBL15874730 | 0.76 | ALDH1A1 (0.46) | ALDH1A1LMNAKMT2AALOX15MEN1 | |
| SCHEMBL395087 | 0.76 | GID4 (0.62) | GID4ALDH1A1HAO1MAPK1MAPK14 | |
| SCHEMBL29842306 | 0.76 | GID4 (0.62) | GID4ALDH1A1HAO1MAPK1MAPK14 | |
| SCHEMBL7075150 | 0.76 | GID4 (0.63) | GID4ALDH1A1HAO1MAPK1MAPK14 | |
| SCHEMBL20856064 | 0.76 | GID4 (0.63) | GID4ALDH1A1HAO1MAPK1MAPK14 | |
| SCHEMBL27491947 | 0.76 | GID4 (0.63) | GID4ALDH1A1HAO1MAPK1MAPK14 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1082121-A4 | HIV INTEGRASE INHIBITORS | MERCK & CO INC (US) | 2003-02-05 | — | — | EP | disclosed |
| US-6380249-B1 | HIV integrase inhibitors | MERCK & CO., INC. | 2002-04-30 | — | — | US | disclosed |
| EP-1082121-A1 | HIV INTEGRASE INHIBITORS | Merck & Co., Inc. (US) | 2001-03-14 | — | — | EP | disclosed |
| WO-1999062520-A1 | HIV INTEGRASE INHIBITORS | MERCK & CO., INC. (US) | 1999-12-09 | — | — | WO | disclosed |