Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 10/20 | 0.57 |
| ▸ | HTR3A | P46098 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL6013004 | 0.96 | SIGMAR1 (0.52) | SIGMAR1HTR3AMEN1ALDH1A1CYP2C9 | |
| SCHEMBL6012912 | 0.95 | SIGMAR1 (0.51) | SIGMAR1HTR3AMEN1ALDH1A1CYP2C9 | |
| SCHEMBL6012341 | 0.95 | SIGMAR1 (0.51) | SIGMAR1HTR3AMEN1ALDH1A1CYP2C9 | |
| SCHEMBL6012779 | 0.92 | SIGMAR1 (0.49) | SIGMAR1HTR3AMEN1ALDH1A1CYP2C9 | |
| Acetic Acid SCHEMBL7474058 | 0.84 | KMT2A (0.46) | SIGMAR1HTR3AMEN1ALDH1A1CYP2C9 | |
| SCHEMBL6012435 | 0.82 | SIGMAR1 (0.53) | SIGMAR1HTR3AMEN1ALDH1A1CYP2C9 | |
| SCHEMBL27494896 | 0.80 | SIGMAR1 (0.56) | SIGMAR1HTR3APOLB | |
| SCHEMBL1077100 | 0.76 | SIGMAR1 (0.51) | SIGMAR1HTR3AMEN1ALDH1A1CYP2C9 | |
| SCHEMBL21538553 | 0.75 | MEN1 (0.50) | SIGMAR1MEN1ALDH1A1CYP2C9TSHR | |
| SCHEMBL10677264 | 0.74 | SIGMAR1 (1.00) | SIGMAR1POLB |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7119091-B2 | Triazaspiro[5.5]undecane derivatives and pharmaceutical compositions comprising thereof, as an active ingredient | ONO PHARMACEUTICAL CO., LTD. (JP) | 2006-10-10 | — | — | US | disclosed |