Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 4/20 | 0.68 |
| ▸ | PKM | P14618 | 4/20 | 0.68 |
| ▸ | RAB9A | P51151 | 4/20 | 0.68 |
| ▸ | MAPT | P10636 | 4/20 | 0.68 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.68 |
| ▸ | LMNA | P02545 | 3/20 | 0.68 |
| ▸ | MEN1 | O00255 | 2/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.56 |
| ▸ | PLIN1 | O60240 | 2/20 | 0.56 |
| ▸ | PLIN5 | Q00G26 | 2/20 | 0.56 |
| ▸ | ABHD5 | Q8WTS1 | 2/20 | 0.56 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.54 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.54 |
| ▸ | KRAS | P01116 | 1/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | MAOB | P27338 | 2/20 | 0.47 |
| ▸ | P4HB | P07237 | 2/20 | 0.46 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL6169752 | 1.00 | NPC1 (0.68) | NPC1PKMRAB9AMAPTKDM4E | |
| SCHEMBL16810371 | 0.86 | RAB9A (0.72) | NPC1PKMRAB9AMAPTKDM4E | |
| SCHEMBL4172319 | 0.83 | NPC1 (0.72) | NPC1PKMRAB9AMAPTKDM4E | |
| SCHEMBL6168342 | 0.82 | CYP1B1 (0.68) | PKMRAB9AMAPTLMNAMEN1 | |
| SCHEMBL6168348 | 0.82 | CYP1B1 (0.68) | PKMRAB9AMAPTLMNAMEN1 | |
| SCHEMBL977480 | 0.82 | MAPT (1.00) | NPC1PKMRAB9AMAPTKDM4E | |
| SCHEMBL4400320 | 0.82 | MAPT (1.00) | NPC1PKMRAB9AMAPTKDM4E | |
| SCHEMBL31088338 | 0.82 | NPC1 (0.70) | NPC1PKMRAB9AMAPTKDM4E | |
| SCHEMBL9227613 | 0.82 | NPC1 (0.70) | NPC1PKMRAB9AMAPTKDM4E | |
| SCHEMBL9227606 | 0.82 | NPC1 (0.70) | NPC1PKMRAB9AMAPTKDM4E |
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-1192127-B1 | SUBSTITUTED BENZAMIDE INHIBITORS OF RHINOVIRUS 3C PROTEASE | AGOURON PHARMA (US) | 2005-03-30 | — | — | EP | disclosed |
| US-6369226-B1 | ENZYME INHIBITORS | AGOURON PHARMACEUTICALS, INC. | 2002-04-09 | — | — | US | disclosed |
| EP-1192127-A1 | SUBSTITUTED BENZAMIDE INHIBITORS OF RHINOVIRUS 3C PROTEASE | Agouron Pharmaceuticals, Inc. (US) | 2002-04-03 | — | — | EP | disclosed |
| WO-2000078708-A1 | SUBSTITUTED BENZAMIDE INHIBITORS OF RHINOVIRUS 3C PROTEASE | AGOURON PHARMACEUTICALS, INC. (US) | 2000-12-28 | — | — | WO | disclosed |