Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 12/20 | 0.81 |
| ▸ | NPC1 | O15118 | 11/20 | 0.81 |
| ▸ | MEN1 | O00255 | 6/20 | 0.81 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.81 |
| ▸ | PKM | P14618 | 3/20 | 0.74 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.74 |
| ▸ | KLF5 | Q13887 | 1/20 | 0.74 |
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.72 |
| ▸ | MAOB | P27338 | 1/20 | 0.72 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.72 |
| ▸ | LMNA | P02545 | 3/20 | 0.72 |
| ▸ | HTT | P42858 | 1/20 | 0.72 |
| ▸ | IRAK4 | Q9NWZ3 | 2/20 | 0.70 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.67 |
| ▸ | SCD | O00767 | 1/20 | 0.66 |
| ▸ | TP53 | P04637 | 1/20 | 0.65 |
| ▸ | MAPT | P10636 | 2/20 | 0.64 |
| ▸ | HPGD | P15428 | 1/20 | 0.64 |
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 | |
|---|---|---|---|---|
| SCHEMBL11703862 | 0.90 | NPC1 (0.83) | RAB9ANPC1MEN1KMT2APKM | |
| SCHEMBL11703126 | 0.85 | NPC1 (0.79) | RAB9ANPC1MEN1KMT2APKM | |
| SCHEMBL11706816 | 0.85 | NPC1 (1.00) | RAB9ANPC1MEN1KMT2APKM | |
| SCHEMBL24845490 | 0.85 | RAB9A (0.76) | RAB9ANPC1MEN1KMT2APKM | |
| SCHEMBL3926899 | 0.84 | NPC1 (1.00) | RAB9ANPC1MEN1KMT2APKM | |
| SCHEMBL2248250 | 0.84 | NPC1 (1.00) | RAB9ANPC1MEN1KMT2APKM | |
| SCHEMBL7348401 | 0.84 | NPC1 (0.73) | RAB9ANPC1MEN1KMT2APKM | |
| SCHEMBL13076211 | 0.84 | NPC1 (0.73) | RAB9ANPC1MEN1KMT2APKM | |
| SCHEMBL31329354 | 0.84 | NPC1 (1.00) | RAB9ANPC1MEN1KMT2APKM | |
| SCHEMBL20063047 | 0.84 | NPC1 (0.73) | RAB9ANPC1MEN1KMT2APKM |
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-0815108-A1 | CYCLIC UREA HIV PROTEASE INHIBITORS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1998-01-07 | — | — | EP | claimed |
| US-5683999-A | Cyclic urea HIV protease inhibitors | THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) | 1997-11-04 | — | — | US | claimed |
| EP-0815108-A1 | CYCLIC UREA HIV PROTEASE INHIBITORS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1998-01-07 | — | — | EP | disclosed |
| US-5683999-A | Cyclic urea HIV protease inhibitors | THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) | 1997-11-04 | — | — | US | disclosed |