Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ELANE | P08246 | 1/20 | 0.35 |
| ▸ | CNR2 | P34972 | 2/20 | 0.35 |
| ▸ | CNR1 | P21554 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.34 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | HTR2A | P28223 | 3/20 | 0.33 |
| ▸ | HTR2C | P28335 | 2/20 | 0.33 |
| ▸ | HPRT1 | P00492 | 1/20 | 0.32 |
| ▸ | HTR1B | P28222 | 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 | |
|---|---|---|---|---|
| SCHEMBL8176752 | 0.84 | ALDH1A1 (0.36) | ELANEALDH1A1TDP1CYP2A6TSHR | |
| SCHEMBL4630920 | 0.83 | ALDH1A1 (0.30) | ALDH1A1TDP1CYP2A6TSHRHSD17B10 | |
| SCHEMBL2351463 | 0.80 | SLC6A4 (0.37) | ALDH1A1TDP1CYP2A6TSHRHSD17B10 | |
| SCHEMBL455640 | 0.79 | CYP2A6 (0.39) | ALDH1A1TDP1CYP2A6TSHRHSD17B10 | |
| SCHEMBL808527 | 0.76 | ALDH1A1 (0.40) | ELANECNR2CNR1ALDH1A1TDP1 | |
| SCHEMBL2500228 | 0.75 | ALDH1A1 (0.37) | ALDH1A1TDP1TSHRHSD17B10LMNA | |
| SCHEMBL9467597 | 0.75 | L3MBTL1 (0.42) | ALDH1A1TDP1CYP2A6TSHRHSD17B10 | |
| SCHEMBL1262323 | 0.75 | ALDH1A1 (0.39) | ALDH1A1TDP1CYP2A6TSHRHSD17B10 | |
| SCHEMBL5397995 | 0.75 | CYP2A6 (0.39) | ALDH1A1TDP1CYP2A6TSHRHSD17B10 | |
| SCHEMBL17848817 | 0.75 | HSD17B10 (0.39) | ALDH1A1TDP1CYP2A6TSHRHSD17B10 |
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-1919907-A2 | HETEROCYCLIC COMPOUND | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2008-05-14 | — | — | EP | disclosed |
| WO-2007026959-A2 | DERIVATIVES OF 4-PIPERAZIN-1-YL-4-BENZ0 [B] THIOPHENE SUITABLE FOR THE TREATMENT OF CNS DISORDERS | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2007-03-08 | — | — | WO | disclosed |