Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GID4 | Q8IVV7 | 1/20 | 0.63 |
| ▸ | HTR2A | P28223 | 4/20 | 0.53 |
| ▸ | HTR2C | P28335 | 4/20 | 0.53 |
| ▸ | HTR2B | P41595 | 4/20 | 0.53 |
| ▸ | HRH3 | Q9Y5N1 | 4/20 | 0.53 |
| ▸ | IGF1R | P08069 | 1/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.44 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.44 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.44 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.44 |
| ▸ | HTR1A | P08908 | 1/20 | 0.44 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.44 |
| ▸ | HAO1 | Q9UJM8 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL20863578 | 0.82 | HAO1 (0.53) | GID4HTR2AHTR2CHTR2BHRH3 | |
| SCHEMBL395087 | 0.81 | GID4 (0.62) | GID4IGF1RALOX15KMT2AMEN1 | |
| SCHEMBL29842306 | 0.81 | GID4 (0.62) | GID4IGF1RALOX15KMT2AMEN1 | |
| SCHEMBL27491947 | 0.81 | GID4 (0.63) | GID4HTR2AHTR2CHTR2BHRH3 | |
| SCHEMBL20856064 | 0.81 | GID4 (0.63) | GID4IGF1RALOX15KMT2AMEN1 | |
| SCHEMBL22319949 | 0.78 | GID4 (0.59) | GID4IGF1RALOX15KMT2AMEN1 | |
| SCHEMBL20863607 | 0.78 | GID4 (1.00) | GID4KMT2AMEN1NPC1ALDH1A1 | |
| SCHEMBL30505550 | 0.77 | GID4 (0.51) | GID4IGF1RALOX15KMT2AMEN1 | |
| SCHEMBL28428281 | 0.77 | GID4 (0.51) | GID4IGF1RALOX15KMT2AMEN1 | |
| SCHEMBL24894731 | 0.77 | GID4 (0.58) | GID4HTR2AHTR2CHTR2BHRH3 |
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 |