Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.64 |
| ▸ | HTT | P42858 | 3/20 | 0.64 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.55 |
| ▸ | HTR7 | P34969 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.51 |
| ▸ | MAPT | P10636 | 3/20 | 0.51 |
| ▸ | RAB9A | P51151 | 3/20 | 0.51 |
| ▸ | GAA | P10253 | 2/20 | 0.50 |
| ▸ | NPC1 | O15118 | 2/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | RECQL | P46063 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL573370 | 0.86 | HTT (0.48) | KDM4EHTTMAPK1CYP3A4CYP2C9 | |
| SCHEMBL13593277 | 0.83 | KDM4E (0.62) | KDM4EHTTMAPK1CYP3A4CYP2C9 | |
| SCHEMBL25271644 | 0.83 | TIPARP (0.61) | KDM4EHTTCYP2C9 | |
| SCHEMBL572043 | 0.82 | SIGMAR1 (0.59) | KDM4EHTTMAPK1CYP3A4CYP2C9 | |
| SCHEMBL31475491 | 0.81 | KDM4E (0.56) | KDM4EHTTMAPK1CYP3A4CYP2C9 | |
| SCHEMBL7491437 | 0.81 | KDM4E (0.59) | KDM4EHTTMAPK1CYP3A4CYP2C9 | |
| SCHEMBL7365515 | 0.81 | KDM4E (0.71) | KDM4EHTTCYP3A4CYP2C9HTR7 | |
| SCHEMBL1374673 | 0.78 | HDAC1 (0.60) | KDM4EHTTMAPK1HTR7ALDH1A1 | |
| SCHEMBL220689 | 0.78 | KDM4E (0.53) | KDM4EHTTMAPK1CYP3A4CYP2C9 | |
| SCHEMBL8939987 | 0.77 | HTR1A (0.62) | ALDH1A1 |
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 |