Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 5/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | USP2 | O75604 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | MCOLN3 | Q8TDD5 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | THRB | P10828 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | PKLR | P30613 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | HSD11B1 | P28845 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL9734635 | 0.98 | SMN1; SMN2 (0.47) | TSHRCYP3A4CYP2C9CYP2C19MEN1 | |
| SCHEMBL9734308 | 0.84 | TSHR (0.41) | TSHRCYP3A4CYP2C19LMNAPKM | |
| SCHEMBL9735393 | 0.84 | HSD11B1 (0.50) | TSHRMEN1KMT2AUSP2SMN1; SMN2 | |
| SCHEMBL22120899 | 0.80 | TSHR (0.49) | TSHRCYP3A4CYP2C9CYP2C19MEN1 | |
| SCHEMBL22120805 | 0.80 | TSHR (0.49) | TSHRCYP3A4CYP2C9CYP2C19MEN1 | |
| SCHEMBL3466241 | 0.76 | HSD11B1 (0.51) | PKMPKLRHSD11B1 | |
| SCHEMBL3468056 | 0.74 | HSD11B1 (0.49) | HSD11B1 | |
| SCHEMBL9734149 | 0.74 | TSHR (0.42) | TSHRCYP3A4CYP2C9CYP2C19MEN1 | |
| SCHEMBL6616459 | 0.72 | TSHR (0.56) | TSHRCYP3A4CYP2C9CYP2C19MEN1 | |
| SCHEMBL9734509 | 0.72 | HSD11B1 (0.42) | TSHRCYP3A4CYP2C9CYP2C19MEN1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5137886-A | Agriculture | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1992-08-11 | — | — | US | disclosed |
| EP-0433001-A1 | Insecticidal compounds | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1991-06-19 | — | — | EP | disclosed |