Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.63 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.61 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.61 |
| ▸ | CES2 | O00748 | 1/20 | 0.50 |
| ▸ | CES1 | P23141 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.48 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.46 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.46 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 5/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.43 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | PARP1 | P09874 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL1397499 | 0.83 | PARP1 (0.57) | TSHRCYP3A4SMN1; SMN2TP53MAPT | |
| SCHEMBL29848105 | 0.78 | TSHR (1.00) | TSHRCYP3A4SMN1; SMN2CES2CES1 | |
| SCHEMBL894417 | 0.78 | TSHR (1.00) | TSHRCYP3A4SMN1; SMN2CES2CES1 | |
| Nitromide SCHEMBL193674 | 0.78 | CYP3A4 (1.00) | TSHRCYP3A4SMN1; SMN2CES2CES1 | |
| SCHEMBL13265968 | 0.77 | TSHR (0.62) | TSHRCYP3A4SMN1; SMN2CES2CES1 | |
| Methane SCHEMBL28159024 | 0.77 | TSHR (0.96) | TSHRCYP3A4SMN1; SMN2CES2CES1 | |
| Hydrochloric Acid SCHEMBL7389430 | 0.77 | TSHR (0.96) | TSHRCYP3A4SMN1; SMN2CES2CES1 | |
| Nitromide SCHEMBL17803670 | 0.77 | CYP3A4 (0.96) | TSHRCYP3A4SMN1; SMN2CES2CES1 | |
| Isobutane SCHEMBL6119723 | 0.76 | TSHR (0.87) | TSHRCYP3A4SMN1; SMN2CES2CES1 | |
| SCHEMBL3087777 | 0.75 | CYP3A4 (0.91) | TSHRCYP3A4SMN1; SMN2CES2CES1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1150565-A1 | THIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF | LION bioscience AG (DE) | 2001-11-07 | — | — | EP | disclosed |
| WO-2000045635-A1 | THIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF | LION BIOSCIENCE AG (DE) | 2000-08-10 | — | — | WO | disclosed |