Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | NR1H2 | P55055 | 6/20 | 0.40 |
| ▸ | NR1H3 | Q13133 | 6/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.36 |
| ▸ | CNR2 | P34972 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | NOX1 | Q9Y5S8 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | MITF | O75030 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL3986251 | 0.78 | HTT (0.44) | TSHRNR1H2NR1H3CYP2D6TAAR1 | |
| SCHEMBL3991051 | 0.75 | TSHR (0.53) | TSHRNR1H2NR1H3TDP1CNR2 | |
| SCHEMBL27538693 | 0.73 | HTT (0.32) | TSHRKMT2AMEN1HTTALDH1A1 | |
| SCHEMBL6395250 | 0.71 | HTT (0.46) | CNR2KMT2AMEN1HTT | |
| SCHEMBL25848331 | 0.71 | TSHR (0.58) | TSHRNR1H2NR1H3CYP2D6TAAR1 | |
| SCHEMBL29950775 | 0.68 | TSHR (0.55) | TSHRNR1H2NR1H3CYP2D6TAAR1 | |
| SCHEMBL2114132 | 0.68 | TSHR (0.50) | TSHRCYP2D6TAAR1TDP1CNR2 | |
| SCHEMBL25882668 | 0.66 | TSHR (0.51) | TSHRNR1H2NR1H3CYP2D6TAAR1 | |
| SCHEMBL10729141 | 0.66 | FFAR1 (0.47) | TSHRCYP2D6TDP1KMT2AMEN1 | |
| SCHEMBL3737541 | 0.66 | MEN1 (0.43) | CYP2D6KMT2AMEN1HTTALDH1A1 |
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 |