Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.49 |
| ▸ | HTT | P42858 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | PTGIR | P43119 | 2/20 | 0.40 |
| ▸ | PTGDR | Q13258 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | RORC | P51449 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.37 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.37 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL798178 | 0.89 | TSHR (0.49) | TSHRHTTALDH1A1KMT2ACYP3A4 | |
| SCHEMBL27901771 | 0.87 | TSHR (0.49) | TSHRHTTALDH1A1KMT2ACYP3A4 | |
| SCHEMBL28802321 | 0.87 | TSHR (0.52) | TSHRHTTALDH1A1KMT2ACYP3A4 | |
| SCHEMBL9224528 | 0.77 | TSHR (0.50) | TSHRHTTALDH1A1KMT2AHPGD | |
| SCHEMBL29276174 | 0.75 | TSHR (0.44) | TSHRHTTALDH1A1KMT2ACYP3A4 | |
| SCHEMBL5705196 | 0.75 | TSHR (0.46) | TSHRHTTALDH1A1KMT2ACYP3A4 | |
| SCHEMBL9139083 | 0.75 | TSHR (0.58) | TSHRHTTALDH1A1LMNASMN1; SMN2 | |
| SCHEMBL997530 | 0.75 | TSHR (0.49) | TSHRHTTALDH1A1KMT2ACYP3A4 | |
| SCHEMBL10710710 | 0.73 | TSHR (0.57) | TSHRHTTALDH1A1KMT2ALMNA | |
| SCHEMBL27919587 | 0.73 | POLQ (0.55) | TSHRHTTALDH1A1KMT2AHPGD |
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-2627648-A1 | 17aHYDROXYLASE/C17,20-LYASE INHIBITORS | Novartis AG (CH) | 2013-08-21 | — | — | EP | disclosed |
| WO-2012035078-A1 | 17α-HYDROXYLASE/C17,20-LYASE INHIBITORS | NOVARTIS AG (CH) | 2012-03-22 | — | — | WO | disclosed |