Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 4/20 | 0.50 |
| ▸ | HTT | P42858 | 4/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | CDK7 | P50613 | 2/20 | 0.41 |
| ▸ | CDK9 | P50750 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | MAPK6 | Q16659 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 3/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.40 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | PIM1 | P11309 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 2/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | PDGFRA | P16234 | 3/20 | 0.37 |
| ▸ | CCNE1 | P24864 | 3/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL6509364 | 0.79 | HTT (0.50) | NPSR1HTTSMN1; SMN2ALDH1A1MAPT | |
| Hydrochloric Acid SCHEMBL3770176 | 0.77 | HTT (0.49) | NPSR1HTTSMN1; SMN2ALDH1A1MAPT | |
| SCHEMBL10964479 | 0.76 | NPSR1 (0.51) | NPSR1HTTSMN1; SMN2ALDH1A1MAPT | |
| SCHEMBL10511471 | 0.75 | NPSR1 (0.61) | NPSR1HTTSMN1; SMN2ALDH1A1MAPT | |
| SCHEMBL1412368 | 0.72 | PDE4A (0.56) | CDK7CDK9ROCK2ROCK1PIM1 | |
| SCHEMBL11274944 | 0.70 | NPSR1 (0.45) | NPSR1HTTSMN1; SMN2ALDH1A1MAPT | |
| SCHEMBL6459225 | 0.70 | CDK9 (0.49) | CDK7CDK9MAPK6ROCK2ROCK1 | |
| SCHEMBL6459216 | 0.70 | CDK9 (0.49) | CDK7CDK9MAPK6ROCK2ROCK1 | |
| SCHEMBL10864593 | 0.70 | ALDH1A1 (0.60) | NPSR1HTTSMN1; SMN2ALDH1A1MAPT | |
| SCHEMBL3774476 | 0.70 | PDE4A (0.46) | NPSR1HTTSMN1; SMN2ALDH1A1MAPT |
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-2005095339-A1 | DICYANOPYRROLIDINES AS DIPEPTIDYL PEPTIDASE IV INHIBITORS | PFIZER PRODUCTS INC. (US) | 2005-10-13 | — | — | WO | disclosed |