Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 11/20 | 0.54 |
| ▸ | MAOA | P21397 | 10/20 | 0.54 |
| ▸ | TOP1 | P11387 | 1/20 | 0.49 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.46 |
| ▸ | RXRA | P19793 | 3/20 | 0.45 |
| ▸ | RXRB | P28702 | 3/20 | 0.45 |
| ▸ | RXRG | P48443 | 3/20 | 0.45 |
| ▸ | GSTP1 | P09211 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | GFER | P55789 | 1/20 | 0.44 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.44 |
| ▸ | KLF5 | Q13887 | 1/20 | 0.44 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.44 |
| ▸ | PPARG | P37231 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL7671483 | 1.00 | MAOB (0.54) | MAOBMAOATOP1HRH3RXRA | |
| SCHEMBL2314862 | 0.80 | MAOB (0.74) | MAOBMAOATOP1HRH3GSTP1 | |
| SCHEMBL6794886 | 0.79 | METAP1 (0.57) | MAOBMAOANPC1RAB9AL3MBTL1 | |
| SCHEMBL3759785 | 0.77 | MAOB (0.74) | MAOBMAOATOP1HRH3GSTP1 | |
| SCHEMBL3745060 | 0.74 | MAOB (0.53) | MAOBMAOATOP1HRH3RXRA | |
| SCHEMBL3745062 | 0.74 | MAOB (0.53) | MAOBMAOATOP1HRH3RXRA | |
| SCHEMBL29308752 | 0.74 | MAOA (0.58) | MAOBMAOATOP1HRH3GSTP1 | |
| SCHEMBL21383038 | 0.74 | MAOB (0.67) | MAOBMAOATOP1NPC1RAB9A | |
| SCHEMBL2310789 | 0.73 | MAOB (0.57) | MAOBMAOATOP1HRH3GSTP1 | |
| SCHEMBL2934677 | 0.72 | MAOB (0.56) | MAOBMAOATOP1HRH3GSTP1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6380249-B1 | HIV integrase inhibitors | MERCK & CO., INC. | 2002-04-30 | — | — | US | claimed |
| 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 |