Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.44 |
| ▸ | TSHR | P16473 | 3/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | GSK3B | P49841 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 3/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 5/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.41 |
| ▸ | CASP1 | P29466 | 1/20 | 0.41 |
| ▸ | CASP7 | P55210 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 2/20 | 0.40 |
| ▸ | XDH | P47989 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.40 |
| ▸ | GFER | P55789 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL9826082 | 0.86 | HSD17B10 (0.49) | ALDH1A1HSD17B10TSHRKDM4EHPGD | |
| SCHEMBL10266096 | 0.81 | ALDH1A1 (0.46) | ALDH1A1HSD17B10TSHRKDM4EHPGD | |
| SCHEMBL10068646 | 0.81 | ALDH1A1 (0.47) | ALDH1A1HSD17B10TSHRKDM4EHPGD | |
| SCHEMBL9529269 | 0.76 | TSHR (0.45) | ALDH1A1HSD17B10TSHRKDM4EHPGD | |
| SCHEMBL7670938 | 0.76 | TSHR (0.45) | ALDH1A1HSD17B10TSHRKDM4EHPGD | |
| SCHEMBL577650 | 0.76 | MAPT (0.45) | ALDH1A1HSD17B10TSHRKDM4EHPGD | |
| SCHEMBL17203079 | 0.75 | GSK3B (0.52) | ALDH1A1KDM4EHPGDGSK3BGAA | |
| SCHEMBL11522285 | 0.74 | MAPT (0.49) | HSD17B10TSHRKDM4EHPGDGSK3B | |
| SCHEMBL577651 | 0.74 | MAPT (0.44) | ALDH1A1HSD17B10TSHRKDM4EHPGD | |
| SCHEMBL1374020 | 0.74 | TSHR (0.44) | HSD17B10TSHRKDM4EHPGDGSK3B |
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-2019826-B1 | THIOPHENE-CARBOXAMIDES USEFUL AS INHIBITORS OF PROTEIN KINASES | VERTEX PHARMA (US) | 2012-08-29 | — | — | EP | disclosed |