Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 4/20 | 0.53 |
| ▸ | RAB9A | P51151 | 4/20 | 0.53 |
| ▸ | TSHR | P16473 | 2/20 | 0.52 |
| ▸ | IDO1 | P14902 | 2/20 | 0.48 |
| ▸ | THRB | P10828 | 1/20 | 0.48 |
| ▸ | HRAS | P01112 | 1/20 | 0.47 |
| ▸ | AGXT | P21549 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.45 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.45 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.45 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | CA12 | O43570 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL3588939 | 0.98 | NPC1 (0.52) | NPC1RAB9ATSHRIDO1THRB | |
| SCHEMBL538293 | 0.79 | TSHR (0.57) | NPC1RAB9ATSHRIDO1HRAS | |
| SCHEMBL23489775 | 0.78 | NPC1 (0.40) | NPC1RAB9ATSHRIDO1THRB | |
| Hydrochloric Acid SCHEMBL11220071 | 0.77 | TSHR (0.55) | NPC1RAB9ATSHRIDO1HRAS | |
| SCHEMBL6509893 | 0.76 | NPC1 (0.65) | NPC1RAB9AALDH1A1SLC6A2SLC6A3 | |
| SCHEMBL9278982 | 0.76 | IDO1 (0.60) | IDO1AGXT | |
| SCHEMBL8863647 | 0.75 | IDO1 (0.54) | NPC1RAB9ATSHRIDO1HRAS | |
| SCHEMBL4744780 | 0.75 | TSHR (0.52) | NPC1RAB9ATSHRIDO1HRAS | |
| SCHEMBL28510963 | 0.75 | TSHR (0.52) | NPC1RAB9ATSHRIDO1HRAS | |
| SCHEMBL4589000 | 0.75 | TSHR (0.52) | NPC1RAB9ATSHRIDO1HRAS |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2008099368-A1 | MACROLIDE DERIVATIVES AS ANTIBACTERIAL AGENTS | RANBAXY LABORATORIES LIMITED (IN) | 2008-08-21 | — | — | WO | claimed |
| CN-100593401-C | Combination of an aromatase inhibitor with a bisphosphonate | NOVARTIS AG | 2010-03-10 | — | — | CN | disclosed |
| EP-1680421-B1 | USE OF TRICYCLIC COMPOUNDS AS GLYCINE TRANSPORT INHIBITORS | SANOFI AVENTIS (FR) | 2008-02-13 | — | — | EP | disclosed |
| EP-1680421-A2 | USE OF TRICYCLIC COMPOUNDS AS GLYCINE TRANSPORT INHIBITORS | Sanofi-Aventis (FR) | 2006-07-19 | — | — | EP | disclosed |
| CN-1671371-A | Combination of an aromatase inhibitor with a bisphosphonate | NOVARTIS AG (CH) | 2005-09-21 | — | — | CN | disclosed |
| WO-2005037783-A2 | USE OF TRICYCLIC COMPOUNDS AS GLYCINE TRANSPORT INHIBITORS | SANOFI-AVENTIS (FR) | 2005-04-28 | — | — | WO | disclosed |
| CN-1089086-C | Luminandide medicine | MILLS RANDELL L (US) | 2002-08-14 | — | — | CN | disclosed |
| CN-1047075-A | Luminandide medicine | MILLS RANDELL L (US) | 1990-11-21 | — | — | CN | disclosed |
| US-4738803-A | ENZYME INHIBITORS | ROQUES BERNARD (FR) | 1988-04-19 | — | — | US | disclosed |