Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 2/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | TIPARP | Q7Z3E1 | 2/20 | 0.44 |
| ▸ | PANK3 | Q9H999 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | HDAC6 | Q9UBN7 | 7/20 | 0.43 |
| ▸ | PPARG | P37231 | 1/20 | 0.42 |
| ▸ | NR2E3 | Q9Y5X4 | 1/20 | 0.42 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | GFER | P55789 | 1/20 | 0.41 |
| ▸ | HTR7 | P34969 | 1/20 | 0.40 |
| ▸ | CHRM4 | P08173 | 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 | |
|---|---|---|---|---|
| SCHEMBL572046 | 0.86 | KDM4E (0.64) | HTTKDM4EALDH1A1HSD17B10CYP3A4 | |
| SCHEMBL25271644 | 0.84 | TIPARP (0.61) | HTTKDM4ETIPARPCYP2C9PPARG | |
| SCHEMBL572874 | 0.83 | SIGMAR1 (0.53) | HTTKDM4EALDH1A1HSD17B10TIPARP | |
| SCHEMBL18149201 | 0.77 | PPARG (0.53) | KDM4EALDH1A1HSD17B10TIPARPPANK3 | |
| SCHEMBL2825734 | 0.75 | PANK3 (0.52) | KDM4EALDH1A1HSD17B10TIPARPPANK3 | |
| SCHEMBL26099910 | 0.72 | SMN1; SMN2 (0.59) | HTTKDM4EALDH1A1PANK3CYP2C9 | |
| SCHEMBL18150026 | 0.72 | PANK3 (0.48) | KDM4EALDH1A1HSD17B10TIPARPPANK3 | |
| SCHEMBL1433484 | 0.70 | PANK3 (0.54) | ALDH1A1HSD17B10TIPARPPANK3HDAC6 | |
| SCHEMBL25261117 | 0.70 | TIPARP (0.55) | TIPARPCYP2C9 | |
| SCHEMBL25277177 | 0.70 | TIPARP (0.63) | HTTKDM4ETIPARPCYP2C9LMNA |
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-2601187-A1 | DEUTERATED TANDOSPIRONE DERIVATIVES AS 5-HT1A RECEPTOR AGONISTS | Conrig Pharma ApS (DK) | 2013-06-12 | — | — | EP | disclosed |
| WO-2012016569-A1 | DEUTERATED TANDOSPIRONE DERIVATIVES AS 5-HT1A RECEPTOR AGONISTS | CONRIG PHARMA APS (DK) | 2012-02-09 | — | — | WO | disclosed |