Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | POLQ | O75417 | 3/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | PTGIR | P43119 | 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 | |
|---|---|---|---|---|
| SCHEMBL798625 | 0.89 | TSHR (0.49) | TSHRALDH1A1CYP3A4SMN1; SMN2HTT | |
| SCHEMBL28802321 | 0.87 | TSHR (0.52) | TSHRALDH1A1CYP3A4HTTKMT2A | |
| SCHEMBL27901771 | 0.87 | TSHR (0.49) | TSHRALDH1A1CYP3A4SMN1; SMN2HTT | |
| SCHEMBL9302078 | 0.82 | ALDH1A1 (0.48) | TSHRALDH1A1CYP3A4SMN1; SMN2NPC1 | |
| SCHEMBL31453537 | 0.82 | MAPT (0.43) | TSHRALDH1A1CYP3A4SMN1; SMN2NPC1 | |
| SCHEMBL8628786 | 0.80 | ALDH1A1 (0.40) | TSHRALDH1A1CYP3A4SMN1; SMN2NPC1 | |
| SCHEMBL8627774 | 0.80 | ALDH1A1 (0.40) | TSHRALDH1A1CYP3A4SMN1; SMN2NPC1 | |
| SCHEMBL5705196 | 0.79 | TSHR (0.46) | TSHRALDH1A1CYP3A4NPC1HTT | |
| SCHEMBL29276174 | 0.78 | TSHR (0.44) | TSHRALDH1A1CYP3A4NPC1HTT | |
| SCHEMBL9224528 | 0.77 | TSHR (0.50) | TSHRALDH1A1SMN1; SMN2NPC1RAB9A |
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 |