Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.66 |
| ▸ | TSHR | P16473 | 2/20 | 0.66 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.66 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.53 |
| ▸ | RECQL | P46063 | 1/20 | 0.53 |
| ▸ | LMNA | P02545 | 2/20 | 0.50 |
| ▸ | USP2 | O75604 | 1/20 | 0.50 |
| ▸ | HTT | P42858 | 1/20 | 0.50 |
| ▸ | MCOLN2 | Q8IZK6 | 2/20 | 0.49 |
| ▸ | MCOLN3 | Q8TDD5 | 2/20 | 0.49 |
| ▸ | MCOLN1 | Q9GZU1 | 2/20 | 0.49 |
| ▸ | PSEN1 | P49768 | 2/20 | 0.49 |
| ▸ | PSEN2 | P49810 | 2/20 | 0.49 |
| ▸ | APH1B | Q8WW43 | 2/20 | 0.49 |
| ▸ | NCSTN | Q92542 | 2/20 | 0.49 |
| ▸ | APH1A | Q96BI3 | 2/20 | 0.49 |
| ▸ | PSENEN | Q9NZ42 | 2/20 | 0.49 |
| ▸ | TP53 | P04637 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL3970619 | 0.91 | ALDH1A1 (0.72) | ALDH1A1TSHRCYP3A4NPSR1SMN1; SMN2 | |
| SCHEMBL810836 | 0.85 | ALDH1A1 (0.64) | ALDH1A1TSHRCYP3A4NPSR1SMN1; SMN2 | |
| SCHEMBL15618828 | 0.85 | ALDH1A1 (0.68) | ALDH1A1TSHRCYP3A4NPSR1SMN1; SMN2 | |
| SCHEMBL15621853 | 0.85 | ALDH1A1 (0.68) | ALDH1A1TSHRCYP3A4NPSR1SMN1; SMN2 | |
| SCHEMBL15618670 | 0.85 | ALDH1A1 (0.68) | ALDH1A1TSHRCYP3A4NPSR1SMN1; SMN2 | |
| SCHEMBL419813 | 0.84 | ALDH1A1 (0.62) | ALDH1A1TSHRCYP3A4NPSR1SMN1; SMN2 | |
| SCHEMBL987578 | 0.84 | ALDH1A1 (0.62) | ALDH1A1TSHRCYP3A4NPSR1SMN1; SMN2 | |
| SCHEMBL810319 | 0.84 | ALDH1A1 (0.62) | ALDH1A1TSHRCYP3A4NPSR1SMN1; SMN2 | |
| SCHEMBL6816353 | 0.84 | ALDH1A1 (0.62) | ALDH1A1TSHRCYP3A4NPSR1SMN1; SMN2 | |
| SCHEMBL8065845 | 0.84 | ALDH1A1 (0.62) | ALDH1A1TSHRCYP3A4NPSR1SMN1; SMN2 |
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-2334683-A1 | SATURATED BICYCLIC HETEROCYCLIC DERIVATIVES AS SMO ANTAGONISTS | Istituto di ricerche di Biologia Molecolare P. Angeletti S.R.L. (IT) | 2011-06-22 | — | — | EP | disclosed |
| WO-2010023480-A1 | SATURATED BICYCLIC HETEROCYCLIC DERIVATIVES AS SMO ANTAGONISTS | ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) | 2010-03-04 | — | — | WO | disclosed |