Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 3/20 | 0.37 |
| ▸ | RIPK1 | Q13546 | 2/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.35 |
| ▸ | FFAR4 | Q5NUL3 | 2/20 | 0.35 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 6/20 | 0.35 |
| ▸ | MAPT | P10636 | 3/20 | 0.35 |
| ▸ | MEN1 | O00255 | 3/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | TP53 | P04637 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | NPC1 | O15118 | 2/20 | 0.34 |
| ▸ | RAB9A | P51151 | 2/20 | 0.34 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.34 |
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 | 0.87 | HTT (0.44) | TSHRHTTRIPK1CYP2D6TDP1 | |
| SCHEMBL3991224 | 0.81 | TSHR (0.49) | TSHRNR1H2NR1H3 | |
| SCHEMBL3984027 | 0.74 | MTNR1A (0.47) | TSHRHTTFFAR1LMNAMAPT | |
| SCHEMBL3985384 | 0.73 | KMT2A (0.46) | HTTCYP2D6TDP1MEN1KMT2A | |
| SCHEMBL3985652 | 0.70 | KDM4E (0.42) | TSHRHTTLMNAMAPTMEN1 | |
| SCHEMBL3991051 | 0.68 | TSHR (0.53) | TSHRTDP1LMNAMAPTKMT2A | |
| SCHEMBL3985318 | 0.65 | TSHR (0.45) | TSHRHTTCYP2D6TDP1LMNA | |
| SCHEMBL29950775 | 0.62 | TSHR (0.55) | TSHRHTTCYP2D6TDP1LMNA | |
| SCHEMBL2114132 | 0.61 | TSHR (0.50) | TSHRCYP2D6TDP1MEN1KMT2A | |
| Diethylaniline SCHEMBL11076069 | 0.61 | MEN1 (0.61) | TSHRLMNAMAPTMEN1KMT2A |
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 |