Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.47 |
| ▸ | CA1 | P00915 | 2/20 | 0.46 |
| ▸ | CA2 | P00918 | 2/20 | 0.46 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | HPGD | P15428 | 2/20 | 0.45 |
| ▸ | GAA | P10253 | 2/20 | 0.45 |
| ▸ | USP2 | O75604 | 1/20 | 0.45 |
| ▸ | PLA2G10 | O15496 | 1/20 | 0.44 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.43 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.42 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 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 | |
|---|---|---|---|---|
| SCHEMBL10727676 | 0.86 | TSHR (0.54) | TSHRCYP3A4CYP2D6CYP2C19CA1 | |
| SCHEMBL1004028 | 0.85 | TSHR (0.58) | TSHRCYP3A4CYP2D6CYP2C19CA1 | |
| SCHEMBL28053290 | 0.85 | TSHR (0.41) | TSHRCYP3A4CYP2D6CYP2C19ALDH1A1 | |
| SCHEMBL4908158 | 0.84 | TSHR (0.72) | TSHRCYP3A4CYP2D6CYP2C19CA1 | |
| SCHEMBL19439093 | 0.84 | TSHR (0.53) | TSHRCYP3A4CA1CA2CA9 | |
| SCHEMBL5723934 | 0.84 | KEAP1 (0.56) | TSHRCA1CA2CA9ALDH1A1 | |
| Hydrochloric Acid SCHEMBL15690391 | 0.84 | TSHR (0.56) | TSHRCYP3A4CYP2D6CYP2C19CA1 | |
| SCHEMBL1500536 | 0.83 | TSHR (0.51) | TSHRCYP2C19CA1CA2CA9 | |
| SCHEMBL3461077 | 0.83 | TSHR (0.51) | TSHRCYP3A4CYP2C19CA1CA2 | |
| SCHEMBL28423617 | 0.83 | TSHR (0.60) | TSHRCYP3A4CYP2D6CYP2C19ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-4093401-A1 | SALICYLAMIDE DERIVATIVES AND RELATED METHODS OF MAKING | The Board of Regents of the University of Texas System (US) | 2022-11-30 | — | — | EP | disclosed |