Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | KDM1A | O60341 | 3/20 | 0.44 |
| ▸ | TLR2 | O60603 | 9/20 | 0.43 |
| ▸ | TLR1 | Q15399 | 7/20 | 0.43 |
| ▸ | TACR1 | P25103 | 1/20 | 0.43 |
| ▸ | KIF11 | P52732 | 1/20 | 0.42 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | RORC | P51449 | 1/20 | 0.41 |
| ▸ | FPR1 | P21462 | 1/20 | 0.40 |
| ▸ | FPR2 | P25090 | 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 | |
|---|---|---|---|---|
| SCHEMBL17086647 | 0.78 | TACR1 (0.46) | SMN1; SMN2NPSR1TLR2TACR1KIF11 | |
| SCHEMBL17086761 | 0.78 | TACR1 (0.46) | SMN1; SMN2NPSR1TLR2TACR1KIF11 | |
| SCHEMBL7882945 | 0.77 | CCR5 (0.46) | TACR1POLBRORC | |
| SCHEMBL4108008 | 0.77 | CCR5 (0.46) | TACR1POLBRORC | |
| SCHEMBL23924116 | 0.76 | TLR2 (0.46) | SMN1; SMN2NPSR1TLR2TLR1TACR1 | |
| SCHEMBL1967702 | 0.76 | DPP4 (0.54) | SMN1; SMN2NPSR1KDM1ATACR1KIF11 | |
| SCHEMBL23924117 | 0.76 | TLR2 (0.46) | SMN1; SMN2NPSR1TLR2TLR1TACR1 | |
| SCHEMBL7885188 | 0.76 | TLR2 (0.46) | SMN1; SMN2NPSR1TLR2TLR1TACR1 | |
| SCHEMBL29900668 | 0.76 | TLR2 (0.46) | SMN1; SMN2NPSR1TLR2TLR1TACR1 | |
| SCHEMBL7886028 | 0.76 | HTR2C (0.49) | TACR1POLBRORC |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2334683-B1 | SATURATED BICYCLIC HETEROCYCLIC DERIVATIVES AS SMO ANTAGONISTS | MSD ITALIA SRL (IT) | 2017-03-22 | — | — | EP | disclosed |
| US-8470823-B2 | Saturated bicyclic heterocyclic derivatives as SMO antagonists | INSTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.R.L. (IT) | 2013-06-25 | — | — | US | disclosed |
| 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 |