Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM2 | P08172 | 5/20 | 0.40 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.40 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.40 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.40 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.40 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.40 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.40 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.35 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | BCHE | P06276 | 3/20 | 0.33 |
| ▸ | PRKCA | P17252 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | DNM1 | Q05193 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL18982352 | 0.80 | CHRNB2 (0.44) | CHRM2CHRNB2CHRNA4CHRM4CHRM5 | |
| SCHEMBL12120221 | 0.79 | CHRM2 (0.56) | CHRM2CHRNB2CHRNA4CHRM4CHRM5 | |
| SCHEMBL19832446 | 0.76 | POLB (0.39) | CHRM2CHRNB2CHRNA4CHRM4CHRM5 | |
| SCHEMBL21155602 | 0.76 | CHRNB2 (0.33) | CHRM2CHRNB2CHRNA4CHRM4CHRM5 | |
| SCHEMBL65921 | 0.75 | POLB (0.41) | CHRM2CHRNB2CHRNA4CHRM4CHRM5 | |
| SCHEMBL22651094 | 0.75 | PDK2 (0.36) | CHRM2CHRNB2CHRNA4CHRM4CHRM5 | |
| SCHEMBL300 | 0.74 | — | — | |
| SCHEMBL12987935 | 0.74 | CHRNB2 (0.39) | CHRM2CHRNB2CHRNA4CHRM4CHRM5 | |
| SCHEMBL19148674 | 0.73 | PDK2 (0.38) | CHRM2CHRNB2CHRNA4CHRM4CHRM5 | |
| SCHEMBL65194 | 0.73 | CHRM2 (0.46) | CHRM2CHRNB2CHRNA4CHRM4CHRM5 |
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-2018022529-A1 | PANTETHEINE DERIVATIVES FOR THE TREATMENT OF NEUROLOGIC DISORDERS | Retrophin, Inc. (US) | 2018-02-01 | — | — | WO | disclosed |