Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.58 |
| ▸ | MC4R | P32245 | 1/20 | 0.50 |
| ▸ | DRD4 | P21917 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 2/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL1134938 | 0.90 | SIGMAR1 (0.72) | SIGMAR1MC4RDRD4LMNAPOLB | |
| SCHEMBL4882691 | 0.88 | LSS (0.51) | SIGMAR1POLBTSHRKDM4EALDH1A1 | |
| Bromide SCHEMBL10180902 | 0.87 | KDM4E (0.50) | SIGMAR1POLBTSHRKDM4EALDH1A1 | |
| SCHEMBL4886381 | 0.86 | CHRNB2 (0.66) | DRD4KDM4EALDH1A1 | |
| SCHEMBL7425120 | 0.85 | SIGMAR1 (0.64) | SIGMAR1MC4RDRD4LMNAPOLB | |
| SCHEMBL511084 | 0.84 | CCR2 (0.56) | SIGMAR1POLBTSHRKDM4EALDH1A1 | |
| Pyridine SCHEMBL28100739 | 0.80 | SIGMAR1 (0.62) | SIGMAR1MC4RDRD4LMNAPOLB | |
| Pyridine SCHEMBL28111068 | 0.80 | SIGMAR1 (0.62) | SIGMAR1MC4RDRD4LMNAPOLB | |
| SCHEMBL7954851 | 0.80 | DRD4 (0.56) | SIGMAR1DRD4POLBTSHR | |
| SCHEMBL18657225 | 0.80 | SIGMAR1 (0.61) | SIGMAR1MC4RDRD4LMNAPOLB |
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 |
|---|---|---|---|---|---|---|---|
| CN-104136441-B | Gonadotropin-releasing hormone receptor antagonists, process for their preparation and pharmaceutical compositions comprising them | SK化学公司 | 2016-09-28 | — | — | CN | disclosed |