Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
| ▸ | MTNR1A | P48039 | 2/20 | 0.46 |
| ▸ | NQO2 | P16083 | 1/20 | 0.46 |
| ▸ | CA12 | O43570 | 2/20 | 0.43 |
| ▸ | CA1 | P00915 | 2/20 | 0.43 |
| ▸ | CA2 | P00918 | 2/20 | 0.43 |
| ▸ | CA4 | P22748 | 2/20 | 0.43 |
| ▸ | CA9 | Q16790 | 2/20 | 0.43 |
| ▸ | CA3 | P07451 | 1/20 | 0.43 |
| ▸ | CA6 | P23280 | 1/20 | 0.43 |
| ▸ | CA5A | P35218 | 1/20 | 0.43 |
| ▸ | CA7 | P43166 | 1/20 | 0.43 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.43 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.43 |
| ▸ | SLC2A1 | P11166 | 4/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.40 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.38 |
| ▸ | SMPD1 | P17405 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL3987787 | 0.89 | HPGD (0.51) | HPGDMTNR1ANQO2CA12CA1 | |
| SCHEMBL8794788 | 0.82 | HPGD (0.64) | HPGDMTNR1ANQO2CA12CA1 | |
| SCHEMBL14544011 | 0.80 | CA12 (0.59) | HPGDMTNR1ANQO2CA12CA1 | |
| Hydrochloric Acid SCHEMBL3988569 | 0.80 | NQO2 (0.53) | HPGDMTNR1ANQO2CA12CA1 | |
| SCHEMBL28097582 | 0.79 | CYP1A2 (0.48) | MTNR1ANQO2 | |
| SCHEMBL4802023 | 0.79 | SIGMAR1 (0.54) | HPGDMTNR1ANQO2CA12CA1 | |
| SCHEMBL28360959 | 0.79 | CA12 (0.65) | HPGDMTNR1ANQO2CA12CA1 | |
| SCHEMBL16106842 | 0.78 | MTNR1A (0.54) | HPGDMTNR1ANQO2CA12CA1 | |
| SCHEMBL16106841 | 0.78 | MTNR1A (0.54) | HPGDMTNR1ANQO2CA12CA1 | |
| SCHEMBL9049841 | 0.77 | SIGMAR1 (0.62) | HPGDMTNR1AKMT2ASIGMAR1 |
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 |