Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 9/20 | 0.74 |
| ▸ | SMN1; SMN2 | Q16637 | 8/20 | 0.74 |
| ▸ | NPC1 | O15118 | 8/20 | 0.74 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.74 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.74 |
| ▸ | TP53 | P04637 | 3/20 | 0.74 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.74 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.74 |
| ▸ | RELA | Q04206 | 2/20 | 0.74 |
| ▸ | STAT1 | P42224 | 1/20 | 0.63 |
| ▸ | MEN1 | O00255 | 3/20 | 0.62 |
| ▸ | LMNA | P02545 | 3/20 | 0.62 |
| ▸ | HPGD | P15428 | 3/20 | 0.62 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.60 |
| ▸ | AURKA | O14965 | 1/20 | 0.59 |
| ▸ | PIM1 | P11309 | 1/20 | 0.59 |
| ▸ | CDK2 | P24941 | 1/20 | 0.59 |
| ▸ | GSK3B | P49841 | 1/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.57 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL22187038 | 0.79 | SMN1; SMN2 (0.75) | RAB9ASMN1; SMN2NPC1KDM4EKMT2A | |
| SCHEMBL4565333 | 0.78 | RAB9A (0.59) | RAB9ASMN1; SMN2NPC1KDM4EKMT2A | |
| SCHEMBL32690316 | 0.76 | RAB9A (0.66) | RAB9ASMN1; SMN2NPC1KDM4EKMT2A | |
| SCHEMBL19974151 | 0.76 | RAB9A (0.66) | RAB9ASMN1; SMN2NPC1KDM4EKMT2A | |
| SCHEMBL995829 | 0.76 | NPC1 (1.00) | RAB9ASMN1; SMN2NPC1KDM4EKMT2A | |
| SCHEMBL19974134 | 0.76 | RAB9A (0.66) | RAB9ASMN1; SMN2NPC1KDM4EKMT2A | |
| SCHEMBL28398606 | 0.76 | RAB9A (0.76) | RAB9ASMN1; SMN2NPC1KDM4EKMT2A | |
| SCHEMBL4600722 | 0.74 | AURKA (1.00) | RAB9ASMN1; SMN2NPC1KDM4EKMT2A | |
| Hydrochloric Acid SCHEMBL27594584 | 0.74 | NPC1 (0.97) | RAB9ASMN1; SMN2NPC1KDM4EKMT2A | |
| SCHEMBL7375 | 0.74 | — | — |
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 |