Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.58 |
| ▸ | GAA | P10253 | 1/20 | 0.58 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.58 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | USP2 | O75604 | 3/20 | 0.47 |
| ▸ | MGLL | Q99685 | 1/20 | 0.47 |
| ▸ | TACR1 | P25103 | 1/20 | 0.46 |
| ▸ | RBP4 | P02753 | 1/20 | 0.46 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.45 |
| ▸ | PKLR | P30613 | 1/20 | 0.45 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.44 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL3997343 | 0.83 | NAMPT (0.42) | CYP3A4CYP2C19SMN1; SMN2LMNAALDH1A1 | |
| SCHEMBL5669833 | 0.83 | LMNA (0.47) | CYP3A4GAACYP2C19SMN1; SMN2LMNA | |
| SCHEMBL5671665 | 0.83 | NPC1 (0.51) | GAALMNAPOLBHPGDALDH1A1 | |
| SCHEMBL4003425 | 0.82 | KMT2A (0.45) | GAALMNAPOLBHPGDALDH1A1 | |
| SCHEMBL3999620 | 0.81 | MAPK1 (0.46) | CYP3A4CYP2C19SMN1; SMN2LMNAPOLB | |
| SCHEMBL4001386 | 0.81 | MEN1 (0.42) | CYP3A4CYP2C19SMN1; SMN2LMNAMGLL | |
| SCHEMBL2942520 | 0.81 | CYP3A4 (0.58) | CYP3A4GAACYP2C19SMN1; SMN2LMNA | |
| SCHEMBL5668948 | 0.80 | CYP2C19 (0.46) | CYP3A4GAACYP2C19ALDH1A1USP2 | |
| SCHEMBL3997334 | 0.80 | MGLL (0.47) | SMN1; SMN2HPGDALDH1A1MGLL | |
| SCHEMBL4000176 | 0.79 | CA1 (0.59) | — |
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-1730147-A1 | SUBSTITUTED 1,4,8-TRIAZASPIRO[4,5]DECAN-2-ON COMPOUNDS FOR USE IN THE TREATMENT OF OBESITY | Grünenthal GmbH (DE) | 2006-12-13 | — | — | EP | disclosed |
| WO-2005095402-A1 | SUBSTITUTED 1,4,8-TRIAZASPIRO[4.5]DECAN-2-ON COMPOUNDS FOR USE IN THE TREATMENT OF OBESITY | Grünenthal GmbH (DE) | 2005-10-13 | — | — | WO | disclosed |