Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 6/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.48 |
| ▸ | TP53 | P04637 | 3/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | CASP1 | P29466 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.34 |
| ▸ | IDO1 | P14902 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.33 |
| ▸ | AHR | P35869 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL14261346 | 0.80 | TSHR (0.48) | TSHRALDH1A1HSD17B10CYP3A4TDP1 | |
| SCHEMBL21791937 | 0.78 | ALDH1A1 (0.36) | TSHRALDH1A1HSD17B10CYP3A4TDP1 | |
| SCHEMBL13464298 | 0.76 | CYP3A4 (0.46) | TSHRALDH1A1HSD17B10CYP3A4TDP1 | |
| SCHEMBL7065067 | 0.74 | TP53 (0.78) | TSHRALDH1A1HSD17B10CYP3A4TDP1 | |
| SCHEMBL17041027 | 0.73 | RECQL (0.39) | TSHRHSD17B10TP53SMN1; SMN2HPGD | |
| SCHEMBL25078545 | 0.72 | TDP1 (0.55) | ALDH1A1HSD17B10TDP1HPGD | |
| SCHEMBL19936997 | 0.72 | MEN1 (0.45) | ALDH1A1MEN1POLBKMT2AHPGD | |
| SCHEMBL7097753 | 0.71 | PPARG (0.38) | TSHRALDH1A1HSD17B10CYP3A4TDP1 | |
| SCHEMBL12330353 | 0.70 | KDM4E (0.47) | TSHRALDH1A1HSD17B10TP53SMN1; SMN2 | |
| SCHEMBL13715673 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018043761-A1 | SPECIFICALLY SUBSTITUTED AZA-DIBENZOFURANS AND AZA-DIBENZOTHIOPHENES FOR ORGANIC ELECTRONIC DEVICES | IDEMITSU KOSAN CO.,LTD. (JP) | 2018-03-08 | — | — | WO | disclosed |
| WO-2014152588-A1 | COVALENT INHIBITORS OF KRAS G12C | ARAXES PHARMA LLC (US) | 2014-09-25 | — | — | WO | disclosed |
| EP-2198867-A1 | Pyrimidine-based compounds useful as GSK-3 inhibitors | Vertex Pharmaceuticals, Inc. (US) | 2010-06-23 | — | — | EP | disclosed |