Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 6/20 | 0.72 |
| ▸ | RAB9A | P51151 | 6/20 | 0.72 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.65 |
| ▸ | MAPT | P10636 | 2/20 | 0.65 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.65 |
| ▸ | GAA | P10253 | 1/20 | 0.65 |
| ▸ | ATM | Q13315 | 1/20 | 0.65 |
| ▸ | GRM5 | P41594 | 1/20 | 0.64 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.64 |
| ▸ | MEN1 | O00255 | 1/20 | 0.64 |
| ▸ | IDE | P14735 | 2/20 | 0.64 |
| ▸ | NT5E | P21589 | 1/20 | 0.61 |
| ▸ | PKM | P14618 | 3/20 | 0.61 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.61 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.61 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.61 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.61 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.60 |
| ▸ | POLB | P06746 | 1/20 | 0.60 |
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 | |
|---|---|---|---|---|
| SCHEMBL17065565 | 0.89 | NPC1 (0.89) | NPC1RAB9AALDH1A1MAPTATM | |
| SCHEMBL2176413 | 0.89 | NPC1 (0.89) | NPC1RAB9AALDH1A1MAPTATM | |
| SCHEMBL8555107 | 0.88 | NPC1 (0.65) | NPC1RAB9AALDH1A1MAPTKDM4E | |
| SCHEMBL1520310 | 0.88 | NPC1 (0.65) | NPC1RAB9AALDH1A1MAPTKDM4E | |
| SCHEMBL29083770 | 0.88 | IDE (0.58) | NPC1RAB9AALDH1A1MAPTKDM4E | |
| SCHEMBL8556579 | 0.86 | GRM5 (0.67) | NPC1RAB9AALDH1A1GRM5KMT2A | |
| SCHEMBL16604283 | 0.84 | NPC1 (0.76) | NPC1RAB9AALDH1A1MAPTKDM4E | |
| SCHEMBL13340193 | 0.84 | IDE (0.54) | NPC1RAB9AALDH1A1MAPTKDM4E | |
| SCHEMBL19447130 | 0.84 | IDE (0.54) | NPC1RAB9AALDH1A1MAPTKDM4E | |
| SCHEMBL23015752 | 0.84 | RAB9A (0.67) | NPC1RAB9AALDH1A1ATMKMT2A |
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-0815108-A1 | CYCLIC UREA HIV PROTEASE INHIBITORS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1998-01-07 | — | — | EP | claimed |
| EP-0815108-A1 | CYCLIC UREA HIV PROTEASE INHIBITORS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1998-01-07 | — | — | EP | disclosed |