Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.58 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.48 |
| ▸ | KCNMA1 | Q12791 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.45 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.45 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL4304944 | 0.86 | TSHR (0.58) | TSHRCYP3A4GPR35KCNMA1ALDH1A1 | |
| SCHEMBL406111 | 0.84 | TSHR (0.60) | TSHRCYP3A4GPR35KCNMA1ALDH1A1 | |
| SCHEMBL3112702 | 0.84 | TSHR (0.60) | TSHRCYP3A4GPR35KCNMA1ALDH1A1 | |
| SCHEMBL404538 | 0.82 | TSHR (0.58) | TSHRCYP3A4GPR35KCNMA1ALDH1A1 | |
| SCHEMBL8494822 | 0.82 | TSHR (0.58) | TSHRCYP3A4GPR35KCNMA1ALDH1A1 | |
| SCHEMBL2721649 | 0.79 | TSHR (0.55) | TSHRCYP3A4KCNMA1ALDH1A1HPGD | |
| SCHEMBL11298968 | 0.79 | ALDH1A1 (0.63) | TSHRCYP3A4GPR35ALDH1A1HPGD | |
| SCHEMBL9542582 | 0.79 | TSHR (0.58) | TSHRCYP3A4GPR35KCNMA1ALDH1A1 | |
| SCHEMBL15172840 | 0.79 | TSHR (0.58) | TSHRCYP3A4GPR35KCNMA1ALDH1A1 | |
| SCHEMBL28290156 | 0.78 | TSHR (0.53) | TSHRCYP3A4GPR35KCNMA1ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-116947715-A | Preparation method of mesotrione intermediate | 帕潘纳(北京)科技有限公司 | 2023-10-27 | — | — | CN | disclosed |
| WO-1993011102-A1 | PREPARATION OF TRISUBSTITUTED BENZOIC ACID PRECURSORS | LUDVIK CHARLES N (US) | 1993-06-10 | — | — | WO | disclosed |
| US-5055605-A | Oxidation of a given sulfide herbicide to corresponding sulfone herbicide with aqueous hydrogen peroxide | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1991-10-08 | — | — | US | disclosed |