Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 1/20 | 0.53 |
| ▸ | IDO1 | P14902 | 2/20 | 0.39 |
| ▸ | PGK1 | P00558 | 1/20 | 0.37 |
| ▸ | PGK2 | P07205 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 3/20 | 0.37 |
| ▸ | MAOB | P27338 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | CA7 | P43166 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
| ▸ | PLA2G4B | P0C869 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL5983777 | 0.85 | AKR1C3 (0.58) | AKR1C3IDO1PGK1PGK2TSHR | |
| SCHEMBL5331963 | 0.78 | AKR1C3 (0.67) | AKR1C3IDO1PGK1PGK2TSHR | |
| SCHEMBL1024521 | 0.74 | CA1 (0.49) | AKR1C3TSHRALDH1A1CA1CA2 | |
| SCHEMBL11378806 | 0.73 | AKR1C3 (0.46) | AKR1C3IDO1PGK1PGK2TSHR | |
| SCHEMBL735220 | 0.72 | AKR1C3 (0.44) | AKR1C3IDO1PGK1PGK2TSHR | |
| SCHEMBL2374254 | 0.72 | AKR1C3 (0.42) | AKR1C3IDO1PGK1PGK2TSHR | |
| SCHEMBL3625606 | 0.69 | TSHR (0.42) | AKR1C3TSHRALDH1A1RAB9ANPC1 | |
| SCHEMBL5983772 | 0.69 | AKR1C3 (0.81) | AKR1C3IDO1PGK1PGK2TSHR | |
| SCHEMBL6209548 | 0.69 | CA2 (0.42) | AKR1C3IDO1TSHRMAOBALDH1A1 | |
| SCHEMBL5069158 | 0.69 | AKR1C3 (1.00) | AKR1C3IDO1PGK1PGK2TSHR |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0723973-B1 | Nucleoside phosphorothioate derivatives, synthesis and use thereof | KING S COLLEGE LONDON (GB) | 1998-10-21 | — | — | EP | disclosed |
| US-5708161-A | Nucleoside phosphorothioate derivatives, synthesis and use thereof | KING'S COLLEGE LONDON (GB) | 1998-01-13 | — | — | US | disclosed |
| EP-0723973-A1 | Nucleoside phosphorothioate derivatives, synthesis and use thereof | KING'S COLLEGE LONDON (GB) | 1996-07-31 | — | — | EP | disclosed |