Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 1/20 | 0.51 |
| ▸ | MTNR1A | P48039 | 3/20 | 0.49 |
| ▸ | NQO2 | P16083 | 1/20 | 0.49 |
| ▸ | SMPD1 | P17405 | 1/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA4 | P22748 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | MC5R | P33032 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL3985376 | 0.89 | HPGD (0.48) | HPGDMTNR1ANQO2SMPD1CA12 | |
| SCHEMBL8794788 | 0.86 | HPGD (0.64) | HPGDMTNR1ANQO2SMPD1CA12 | |
| Hydrochloric Acid SCHEMBL3988569 | 0.84 | NQO2 (0.53) | HPGDMTNR1ANQO2SMPD1CA12 | |
| SCHEMBL28097582 | 0.83 | CYP1A2 (0.48) | MTNR1ANQO2CYP1A2CYP2C19CYP2C9 | |
| SCHEMBL13086096 | 0.78 | MTNR1A (0.57) | HPGDMTNR1ANQO2CA12CA1 | |
| SCHEMBL3992354 | 0.77 | HPGD (0.58) | HPGDMTNR1ANQO2SMPD1CA12 | |
| SCHEMBL8858591 | 0.76 | NQO2 (0.58) | HPGDMTNR1ANQO2SMPD1CA12 | |
| SCHEMBL16106841 | 0.75 | MTNR1A (0.54) | HPGDMTNR1ANQO2CA12CA1 | |
| SCHEMBL16106842 | 0.75 | MTNR1A (0.54) | HPGDMTNR1ANQO2CA12CA1 | |
| SCHEMBL3982326 | 0.75 | HPGD (0.52) | HPGDMTNR1ANQO2SMPD1CA12 |
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-2061449-A1 | SUBSTITUTED ACETYLENIC COMPOUNDS USEFUL FOR THE TREATMENT OF DISEASES | Leo Pharma A/S (DK) | 2009-05-27 | — | — | EP | claimed |
| WO-2008019690-A1 | SUBSTITUTED ACETYLENIC COMPOUNDS USEFUL FOR THE TREATMENT OF DISEASES | LEO PHARMA A/S (DK) | 2008-02-21 | — | — | WO | claimed |
| 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 |