Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 4/20 | 0.56 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.50 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | CA7 | P43166 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | MAOB | P27338 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL2058333 | 0.80 | IDO1 (0.61) | IDO1AKR1C3LOXL2TSHRCA12 | |
| SCHEMBL2058336 | 0.77 | IDO1 (0.58) | IDO1AKR1C3LOXL2TSHRCA12 | |
| SCHEMBL8062311 | 0.75 | IDO1 (0.70) | IDO1AKR1C3LOXL2TSHRCA12 | |
| SCHEMBL37463 | 0.75 | IDO1 (0.70) | IDO1AKR1C3LOXL2TSHRCA12 | |
| SCHEMBL7761382 | 0.75 | IDO1 (0.54) | IDO1AKR1C3LOXL2TSHRCA12 | |
| SCHEMBL3935764 | 0.73 | IDO1 (0.61) | IDO1AKR1C3LOXL2TSHRCA12 | |
| SCHEMBL3935769 | 0.73 | IDO1 (0.61) | IDO1AKR1C3LOXL2TSHRCA12 | |
| Butane SCHEMBL8720911 | 0.72 | IDO1 (0.51) | IDO1AKR1C3LOXL2TSHRMEN1 | |
| SCHEMBL23091915 | 0.72 | IDO1 (0.66) | IDO1AKR1C3LOXL2TSHRCA12 | |
| SCHEMBL21753899 | 0.72 | IDO1 (0.66) | IDO1AKR1C3LOXL2TSHRCA12 |
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 |
|---|---|---|---|---|---|---|---|
| US-6756496-B1 | SUCH AS TRIETHYLAMMONIUM-5'-DIMETHOXYTRITYL-3'-THYMIDINE-HYDROGEN PHOSPHONONDITHIOATE FOR USE AS ANTIVIRAL AND ANTICANCER AGENTS | ISIS PHARMACEUTICALS, INC. | 2004-06-29 | — | — | US | disclosed |
| US-5565555-A | Nucleoside hydrogen phosphonodithioate diesters and activated phosphonodithioate analogues | GILEAD SCIENCES, INC. (US) | 1996-10-15 | — | — | US | disclosed |
| US-5194599-A | Forming linkages with nuclosides and nucleotides; viricides, anticarcinogenic agents | GILEAD SCIENCES, INC. (US) | 1993-03-16 | — | — | US | disclosed |
| EP-0360609-A2 | Novel hydrogen phosphonodithioate compositions | GILEAD SCIENCES, INC. (US) | 1990-03-28 | — | — | EP | disclosed |