Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | DCTPP1 | Q9H773 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | GRM1 | Q13255 | 2/20 | 0.43 |
| ▸ | CES2 | O00748 | 1/20 | 0.43 |
| ▸ | KLK3 | P07288 | 2/20 | 0.41 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.41 |
| ▸ | NTRK2 | Q16620 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.41 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.41 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | F2 | P00734 | 3/20 | 0.40 |
| ▸ | KLK7 | P49862 | 1/20 | 0.40 |
| ▸ | KLK14 | Q9P0G3 | 1/20 | 0.40 |
| ▸ | KLK5 | Q9Y337 | 1/20 | 0.40 |
| ▸ | ST14 | Q9Y5Y6 | 1/20 | 0.40 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.40 |
| ▸ | F12 | P00748 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL10994446 | 0.87 | ALDH1A1 (0.43) | ALDH1A1TSHRKMT2APDE10AMEN1 | |
| SCHEMBL10983641 | 0.80 | PDE10A (0.47) | ALDH1A1KMT2AF2PDE10AF12 | |
| SCHEMBL10991342 | 0.77 | ALDH1A1 (0.57) | ALDH1A1DCTPP1TSHRCES2KLK3 | |
| SCHEMBL10991094 | 0.76 | ALDH1A1 (0.60) | ALDH1A1TSHRCES2PDE10AHSD17B10 | |
| SCHEMBL10993816 | 0.71 | CES2 (0.54) | ALDH1A1DCTPP1TSHRCES2KLK3 | |
| SCHEMBL30748659 | 0.70 | ALDH1A1 (0.56) | ALDH1A1GRM1MAPTCYP19A1CYP11B1 | |
| SCHEMBL10987538 | 0.67 | DCTPP1 (0.62) | ALDH1A1DCTPP1MAPTKMT2AF2 | |
| SCHEMBL1628833 | 0.66 | ALDH1A1 (0.78) | ALDH1A1GRM1MAPTKMT2AMEN1 | |
| SCHEMBL30827513 | 0.66 | ALDH1A1 (0.78) | ALDH1A1GRM1MAPTKMT2AMEN1 | |
| SCHEMBL10994785 | 0.65 | ALDH1A1 (0.52) | ALDH1A1DCTPP1TSHRCES2KLK3 |
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 |
|---|---|---|---|---|---|---|---|
| US-4497814-A | 2-(Pyridinyl)-1,2,4-triazolo[1,5-a]pyrimidines and derivatives useful in increasing cardiac contractility | SCHERING CORPORATION (US) | 1985-02-05 | — | — | US | disclosed |