Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 2/20 | 0.39 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 3/20 | 0.32 |
| ▸ | BCHE | P06276 | 1/20 | 0.32 |
| ▸ | ACHE | P22303 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | CES2 | O00748 | 1/20 | 0.32 |
| ▸ | CES1 | P23141 | 1/20 | 0.32 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 3/20 | 0.31 |
| ▸ | HTT | P42858 | 2/20 | 0.31 |
| ▸ | THRB | P10828 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL2374254 | 0.77 | AKR1C3 (0.42) | IDO1AKR1C3CYP2C19CYP1A2TSHR | |
| SCHEMBL8600350 | 0.74 | IDO1 (0.56) | IDO1AKR1C3CYP2C19CYP1A2CYP2C9 | |
| SCHEMBL3625606 | 0.74 | TSHR (0.42) | AKR1C3CYP2C19TSHRMAPTALDH1A1 | |
| SCHEMBL5983777 | 0.72 | AKR1C3 (0.58) | IDO1AKR1C3TSHRMAPTALDH1A1 | |
| Phosphonic Acid SCHEMBL5328144 | 0.72 | TSHR (0.38) | IDO1AKR1C3TSHRMAPTALDH1A1 | |
| SCHEMBL735220 | 0.70 | AKR1C3 (0.44) | IDO1AKR1C3TSHRMAPTALDH1A1 | |
| SCHEMBL356641 | 0.70 | CA2 (0.37) | AKR1C3TSHRCA1CA2CES2 | |
| SCHEMBL8133189 | 0.69 | GSK3B (0.42) | AKR1C3TSHRMAPTALDH1A1CA1 | |
| SCHEMBL8601137 | 0.68 | AKR1C3 (0.53) | IDO1AKR1C3TSHRALDH1A1CA1 | |
| SCHEMBL5002727 | 0.67 | TSHR (0.41) | IDO1AKR1C3CYP2C19CYP1A2CYP2C9 |
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 |