Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 10/20 | 0.74 |
| ▸ | NPC1 | O15118 | 8/20 | 0.74 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.74 |
| ▸ | PKM | P14618 | 2/20 | 0.74 |
| ▸ | SCD | O00767 | 2/20 | 0.66 |
| ▸ | MAPT | P10636 | 5/20 | 0.62 |
| ▸ | TP53 | P04637 | 1/20 | 0.62 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.57 |
| ▸ | LMNA | P02545 | 1/20 | 0.57 |
| ▸ | RXFP1 | Q9HBX9 | 2/20 | 0.57 |
| ▸ | MEN1 | O00255 | 4/20 | 0.57 |
| ▸ | GRM5 | P41594 | 1/20 | 0.56 |
| ▸ | CRHBP | P24387 | 1/20 | 0.56 |
| ▸ | RECQL | P46063 | 1/20 | 0.56 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.56 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.55 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.55 |
| ▸ | KCNK9 | Q9NPC2 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL7349284 | 0.86 | RAB9A (0.70) | RAB9ANPC1SMN1; SMN2PKMSCD | |
| SCHEMBL31665475 | 0.85 | NPC1 (1.00) | RAB9ANPC1SMN1; SMN2PKMMAPT | |
| SCHEMBL3581515 | 0.85 | RAB9A (0.81) | RAB9ANPC1SMN1; SMN2PKMSCD | |
| SCHEMBL2754020 | 0.82 | NPC1 (0.77) | RAB9ANPC1SMN1; SMN2PKMMAPT | |
| SCHEMBL14985591 | 0.80 | SCD (0.81) | RAB9ANPC1SMN1; SMN2SCDMAPT | |
| SCHEMBL8552971 | 0.80 | SCD (1.00) | RAB9ANPC1SMN1; SMN2SCDMAPT | |
| SCHEMBL1969659 | 0.79 | RAB9A (0.64) | RAB9ANPC1SMN1; SMN2PKMMAPT | |
| SCHEMBL4917918 | 0.79 | SCD (0.67) | RAB9ANPC1SMN1; SMN2SCDMAPT | |
| SCHEMBL8556554 | 0.78 | KMT2A (0.75) | RAB9ANPC1SMN1; SMN2SCDMAPT | |
| SCHEMBL8117715 | 0.78 | RAB9A (0.70) | RAB9ANPC1SMN1; SMN2PKMMAPT |
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 |