Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.47 |
| ▸ | SQLE | Q14534 | 1/20 | 0.47 |
| ▸ | NQO2 | P16083 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | MTNR1A | P48039 | 2/20 | 0.40 |
| ▸ | SMPD1 | P17405 | 1/20 | 0.35 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA4 | P22748 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | CASP1 | P29466 | 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 | |
|---|---|---|---|---|
| SCHEMBL30960251 | 0.78 | LMNA (0.60) | SIGMAR1LMNAADRA2ACYP2D6SLC6A2 | |
| SCHEMBL30960258 | 0.78 | LMNA (0.60) | SIGMAR1LMNAADRA2ACYP2D6SLC6A2 | |
| SCHEMBL3256682 | 0.78 | LMNA (0.60) | SIGMAR1LMNAADRA2ACYP2D6SLC6A2 | |
| SCHEMBL3256688 | 0.78 | LMNA (0.60) | SIGMAR1LMNAADRA2ACYP2D6SLC6A2 | |
| SCHEMBL3252887 | 0.74 | LMNA (0.47) | SIGMAR1LMNAADRA2ACYP2D6SLC6A2 | |
| SCHEMBL3252892 | 0.74 | LMNA (0.47) | SIGMAR1LMNAADRA2ACYP2D6SLC6A2 | |
| SCHEMBL10316496 | 0.73 | HPGD (0.53) | SIGMAR1LMNANQO2HPGDMTNR1A | |
| SCHEMBL3251198 | 0.72 | LMNA (0.46) | SIGMAR1LMNAADRA2ACYP2D6SLC6A2 | |
| SCHEMBL3251189 | 0.72 | LMNA (0.46) | SIGMAR1LMNAADRA2ACYP2D6SLC6A2 | |
| SCHEMBL15571660 | 0.71 | SIGMAR1 (0.51) | SIGMAR1LMNACYP2D6SLC6A2NQO2 |
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-2061449-A1 | SUBSTITUTED ACETYLENIC COMPOUNDS USEFUL FOR THE TREATMENT OF DISEASES | Leo Pharma A/S (DK) | 2009-05-27 | — | — | EP | disclosed |
| WO-2008019690-A1 | SUBSTITUTED ACETYLENIC COMPOUNDS USEFUL FOR THE TREATMENT OF DISEASES | LEO PHARMA A/S (DK) | 2008-02-21 | — | — | WO | disclosed |