Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SPTLC2 | O15270 | 2/20 | 0.47 |
| ▸ | PDE4A | P27815 | 1/20 | 0.42 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.42 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.42 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.42 |
| ▸ | AVPR2 | P30518 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | F10 | P00742 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | KDM2B | Q8NHM5 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL4684483 | 0.85 | AVPR2 (0.46) | SPTLC2AVPR2ALDH1A1HPGD | |
| Hydrochloric Acid SCHEMBL7021837 | 0.85 | AVPR2 (0.41) | AVPR2ALDH1A1L3MBTL1 | |
| SCHEMBL7241445 | 0.82 | AVPR2 (0.52) | AVPR2 | |
| SCHEMBL7241507 | 0.80 | AVPR2 (0.45) | AVPR2 | |
| SCHEMBL4682873 | 0.79 | AVPR2 (0.45) | SPTLC2AVPR2ALDH1A1HPGD | |
| SCHEMBL4685605 | 0.78 | SPTLC2 (0.43) | SPTLC2PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL7345395 | 0.76 | SPTLC2 (0.47) | SPTLC2PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL9088215 | 0.76 | AVPR2 (0.54) | AVPR2 | |
| SCHEMBL4685984 | 0.75 | ALDH1A1 (0.46) | SPTLC2TP53ALDH1A1HPGD | |
| SCHEMBL4684981 | 0.75 | AVPR2 (0.52) | AVPR2ALDH1A1 |
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-0765314-B1 | BENZOHETEROCYCLIC DERIVATIVES USEFUL AS VASOPRESSIN OR OXYTOCIN MODULATORS | OTSUKA PHARMA CO LTD (JP) | 2003-05-07 | — | — | EP | disclosed |
| EP-1221440-A1 | Benzoheterocyclic derivatives useful as vasopressin or oxytocin modulators | Otsuka Pharmaceutical Company, Limited (JP) | 2002-07-10 | — | — | EP | disclosed |