Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.41 |
| ▸ | USP2 | O75604 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | GSK3A | P49840 | 1/20 | 0.40 |
| ▸ | GSK3B | P49841 | 1/20 | 0.40 |
| ▸ | HRH1 | P35367 | 1/20 | 0.39 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL15423954 | 0.91 | DRD4 (0.46) | CYP2D6ALDH1A1TSHROPRL1USP2 | |
| Simufilam SCHEMBL12627054 | 0.80 | MC4R (0.46) | MAPK1ALDH1A1LMNAMAPTHTT | |
| Simufilam SCHEMBL22361802 | 0.79 | MC4R (0.45) | MAPK1ALDH1A1LMNAMAPTHTT | |
| Simufilam SCHEMBL22361808 | 0.79 | MC4R (0.45) | MAPK1ALDH1A1LMNAMAPTHTT | |
| SCHEMBL12656278 | 0.79 | GSK3A (0.42) | CYP2C9HIF1AALDH1A1TSHRCYP2C19 | |
| SCHEMBL15426339 | 0.79 | OPRL1 (0.37) | SMN1; SMN2CYP2D6CYP2C9ALDH1A1TSHR | |
| Simufilam SCHEMBL22361805 | 0.78 | MC4R (0.44) | MAPK1ALDH1A1LMNAMAPTHTT | |
| SCHEMBL15426043 | 0.78 | ALDH1A1 (0.43) | SMN1; SMN2CYP2D6ALDH1A1TSHRCYP3A4 | |
| SCHEMBL12627083 | 0.76 | KMT2A (0.48) | CYP2D6CYP2C9HIF1AALDH1A1TSHR | |
| SCHEMBL24106950 | 0.75 | OPRD1 (0.46) | CYP2D6MAPK1ALDH1A1TSHRCYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2014012054-A1 | ALZHEIMER'S DISEASE ASSAY IN A LIVING PATENT | PAIN THERAPEUTICS, INC. (US) | 2014-01-16 | — | — | WO | disclosed |
| WO-2014011917-A2 | A METHOD OF INHIBITING TAU PHOSPHORYLATION | PAIN THERAPEUTICS, INC. (US) | 2014-01-16 | — | — | WO | disclosed |