Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.71 |
| ▸ | RAB9A | P51151 | 11/20 | 0.61 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.58 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.58 |
| ▸ | NPC1 | O15118 | 8/20 | 0.56 |
| ▸ | POLB | P06746 | 1/20 | 0.56 |
| ▸ | MEN1 | O00255 | 1/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.56 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.56 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.55 |
| ▸ | MAPT | P10636 | 1/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.52 |
| ▸ | TP53 | P04637 | 2/20 | 0.52 |
| ▸ | PKM | P14618 | 2/20 | 0.52 |
| ▸ | GLA | P06280 | 1/20 | 0.52 |
| ▸ | GAA | P10253 | 1/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.52 |
| ▸ | TSHR | P16473 | 2/20 | 0.51 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.51 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL8554924 | 0.87 | ALDH1A1 (0.77) | ALDH1A1RAB9AL3MBTL1KDM4ENPC1 | |
| SCHEMBL14758512 | 0.83 | RAB9A (0.71) | ALDH1A1RAB9AL3MBTL1KDM4ENPC1 | |
| SCHEMBL26758744 | 0.82 | ALDH1A1 (0.70) | ALDH1A1RAB9AL3MBTL1KDM4ENPC1 | |
| SCHEMBL3529609 | 0.82 | KDM4E (0.72) | ALDH1A1RAB9AKDM4ENPC1POLB | |
| SCHEMBL8555107 | 0.81 | NPC1 (0.65) | ALDH1A1RAB9AKDM4ENPC1POLB | |
| SCHEMBL21709858 | 0.79 | KDM4E (0.82) | ALDH1A1RAB9AL3MBTL1KDM4ENPC1 | |
| SCHEMBL30216783 | 0.79 | KDM4E (0.82) | ALDH1A1RAB9AL3MBTL1KDM4ENPC1 | |
| SCHEMBL7348632 | 0.78 | RAB9A (0.66) | ALDH1A1RAB9AL3MBTL1KDM4ENPC1 | |
| SCHEMBL1196619 | 0.78 | NPC1 (0.65) | RAB9AL3MBTL1KDM4ENPC1POLB | |
| SCHEMBL14979240 | 0.78 | DEGS1 (0.73) | ALDH1A1RAB9AKDM4ENPC1POLB |
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 |