Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.67 |
| ▸ | DRD4 | P21917 | 2/20 | 0.56 |
| ▸ | ACHE | P22303 | 1/20 | 0.55 |
| ▸ | CXCR3 | P49682 | 1/20 | 0.54 |
| ▸ | CCR3 | P51677 | 1/20 | 0.54 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.52 |
| ▸ | HTR2A | P28223 | 2/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.51 |
| ▸ | TSHR | P16473 | 1/20 | 0.51 |
| ▸ | HTR2C | P28335 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.51 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL3325622 | 0.85 | ALDH1A1 (0.68) | SIGMAR1DRD4ACHEKCNH2ALDH1A1 | |
| Bromide SCHEMBL8824061 | 0.84 | ALDH1A1 (0.67) | SIGMAR1DRD4ACHEKCNH2ALDH1A1 | |
| SCHEMBL5844682 | 0.83 | BACE1 (0.61) | SIGMAR1DRD4ACHEKCNH2ALDH1A1 | |
| SCHEMBL27430491 | 0.82 | SIGMAR1 (0.79) | SIGMAR1DRD4ACHECXCR3CCR3 | |
| SCHEMBL11667042 | 0.80 | ACHE (0.63) | SIGMAR1ACHECCR3KCNH2HTR2A | |
| SCHEMBL8023030 | 0.80 | SIGMAR1 (0.75) | SIGMAR1DRD4ACHECXCR3KCNH2 | |
| SCHEMBL11470062 | 0.80 | ALDH1A1 (0.60) | SIGMAR1CXCR3ALDH1A1MAPK1KMT2A | |
| Hydrochloric Acid SCHEMBL28785171 | 0.79 | ACHE (0.61) | SIGMAR1ACHECCR3KCNH2HTR2A | |
| SCHEMBL17512174 | 0.79 | DRD4 (0.76) | SIGMAR1DRD4KCNH2HTR2ACYP1A2 | |
| SCHEMBL5504017 | 0.79 | SIGMAR1 (0.82) | SIGMAR1DRD4ACHECXCR3HTR2A |
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-101663299-A | Thia (dia) zoles as fast dissociating dopamine 2 receptor antagonists | JANSSEN PHARMACEUTICA NV | 2010-03-03 | — | — | CN | disclosed |