Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA1D | P25100 | 1/20 | 0.50 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.50 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.50 |
| ▸ | DRD2 | P14416 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | CCR5 | P51681 | 1/20 | 0.46 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.46 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.46 |
| ▸ | LTA4H | P09960 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL5083239 | 0.89 | DRD2 (0.56) | DRD2SIGMAR1HRH3 | |
| SCHEMBL9528660 | 0.76 | LTA4H (0.62) | HRH3LTA4HTSHRRAB9A | |
| SCHEMBL19355567 | 0.76 | NPC1 (0.59) | ADRA1DADRA1AADRA1BKDM4ELMNA | |
| Hydrochloric Acid SCHEMBL9530694 | 0.75 | LTA4H (0.61) | HRH3LTA4HTSHRRAB9A | |
| SCHEMBL9655435 | 0.74 | DRD2 (0.49) | DRD2CCR5HRH3KMT2A | |
| SCHEMBL9531948 | 0.73 | HRH3 (0.59) | HRH3LTA4HMEN1KMT2ARAB9A | |
| Ammonia Solution, Strong SCHEMBL27542930 | 0.73 | NPC1 (0.52) | KDM4EALDH1A1LMNAHRH3LTA4H | |
| SCHEMBL9655196 | 0.72 | HRH3 (0.44) | SIGMAR1HRH3MEN1 | |
| SCHEMBL10272647 | 0.71 | MRGPRX4 (0.64) | LMNACYP1A2CYP2C19NPC1RAB9A | |
| SCHEMBL8104014 | 0.70 | DRD2 (0.68) | DRD2CCR5SIGMAR1MEN1TP53 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008133884-A2 | METHODS AND COMPOSITIONS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS | COMBINATORX, INCORPORATED (US) | 2008-11-06 | — | — | WO | disclosed |