Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 7/20 | 0.43 |
| ▸ | RAB9A | P51151 | 7/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.43 |
| ▸ | PKM | P14618 | 2/20 | 0.43 |
| ▸ | MAOB | P27338 | 1/20 | 0.43 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.40 |
| ▸ | SCD | O00767 | 1/20 | 0.39 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.39 |
| ▸ | KLF5 | Q13887 | 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 | |
|---|---|---|---|---|
| SCHEMBL4862487 | 0.85 | ACR (0.52) | NPC1SMN1; SMN2ADORA2AKDM4ELMNA | |
| SCHEMBL10896181 | 0.85 | NPC1 (0.48) | NPC1RAB9ASMN1; SMN2PKMMAOB | |
| Hydrochloric Acid SCHEMBL10732492 | 0.84 | ACR (0.51) | NPC1SMN1; SMN2ADORA2AKDM4ELMNA | |
| SCHEMBL11095372 | 0.84 | TUBB4A (0.45) | SMN1; SMN2POLBLMNAHTTMEN1 | |
| Hydrochloric Acid SCHEMBL11094572 | 0.83 | TUBB4A (0.44) | SMN1; SMN2POLBLMNAHTTMEN1 | |
| SCHEMBL28209330 | 0.81 | IRAK4 (0.53) | NPC1RAB9ASMN1; SMN2PKMKDM4E | |
| SCHEMBL11524230 | 0.81 | SMN1; SMN2 (0.41) | NPC1RAB9ASMN1; SMN2PKMMAOB | |
| SCHEMBL4865913 | 0.79 | NPSR1 (0.46) | NPC1RAB9ASMN1; SMN2POLBKDM4E | |
| SCHEMBL9719979 | 0.78 | NPC1 (0.54) | NPC1RAB9ASMN1; SMN2PKMMAOB | |
| SCHEMBL4637243 | 0.78 | NPC1 (0.48) | NPC1RAB9ASMN1; SMN2PKMMAOB |
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 |
|---|---|---|---|---|---|---|---|
| EP-1485358-A1 | BROADSPECTRUM SUBSTITUTED BENZIMIDAZOLE SULFONAMIDE HIV PROTEASE INHIBITORS | Tibotec Pharmaceuticals Ltd. (IE) | 2004-12-15 | — | — | EP | disclosed |
| WO-2003076413-A1 | BROADSPECTRUM SUBSTITUTED BENZIMIDAZOLE SULFONAMIDE HIV PROTEASE INHIBITORS | TIBOTEC PHARMACEUTICALS LTD (IE) | 2003-09-18 | — | — | WO | disclosed |