Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 4/20 | 0.46 |
| ▸ | RAB9A | P51151 | 4/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | MMP2 | P08253 | 1/20 | 0.46 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | ELANE | P08246 | 2/20 | 0.43 |
| ▸ | CTSK | P43235 | 1/20 | 0.41 |
| ▸ | PRTN3 | P24158 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL5142558 | 0.90 | NPC1 (0.45) | NPC1RAB9ACA1CA2MMP2 | |
| SCHEMBL7701970 | 0.90 | NPC1 (0.45) | NPC1RAB9ACA1CA2MMP2 | |
| SCHEMBL1287355 | 0.89 | CA1 (0.47) | NPC1RAB9ACA1CA2MMP2 | |
| SCHEMBL7214212 | 0.87 | NPC1 (0.47) | NPC1RAB9ACA1CA2MMP2 | |
| SCHEMBL4282571 | 0.87 | CA1 (0.46) | NPC1RAB9ACA1CA2MMP2 | |
| SCHEMBL4265208 | 0.87 | NPC1 (0.47) | NPC1RAB9ACA1CA2MMP2 | |
| SCHEMBL4282703 | 0.87 | CA1 (0.46) | NPC1RAB9ACA1CA2MMP2 | |
| SCHEMBL27536452 | 0.87 | CA1 (0.46) | NPC1RAB9ACA1CA2MMP2 | |
| SCHEMBL5144950 | 0.85 | TSHR (0.42) | NPC1RAB9ACA1CA2MMP2 | |
| SCHEMBL29779150 | 0.84 | ELANE (0.49) | NPC1RAB9ACA1CA2MMP2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6350736-B1 | phenyl methoxyalaninyl phosphate derivatives of 2',3'-didehydro-2',3'-dideoxythymidine with an electron-withdrawing moiety, such as p-bromo, for enhanced hydrolysis, have increased potency without high cytotoxic activity; inhibitors of HIV reverse transcriptase; thymidine-kinase (TK)-deficient cells | PARKER HUGHES INSTITUTE | 2002-02-26 | — | — | US | disclosed |