Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.38 |
| ▸ | RELA | Q04206 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | PELI1 | Q96FA3 | 1/20 | 0.35 |
| ▸ | AR | P10275 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL16245358 | 0.86 | ALDH1A1 (0.41) | ALDH1A1TSHRMAPTSLC6A2SLC6A4 | |
| SCHEMBL9717716 | 0.79 | DRD1 (0.47) | ALDH1A1TSHRMAPTKDM4ELMNA | |
| SCHEMBL3757526 | 0.77 | ALDH1A1 (0.48) | ALDH1A1TSHRHPGDTDP1TP53 | |
| SCHEMBL18594367 | 0.76 | ALDH1A1 (0.43) | ALDH1A1MAPTKDM4ELMNAHPGD | |
| SCHEMBL7314285 | 0.75 | ALDH1A1 (0.43) | ALDH1A1TSHRMAPTSLC6A2SLC6A4 | |
| SCHEMBL16950525 | 0.74 | ALDH1A1 (0.39) | ALDH1A1TSHRMAPTSLC6A2SLC6A4 | |
| SCHEMBL9914232 | 0.74 | HDAC7 (0.45) | ALDH1A1MAPTKDM4ELMNAHPGD | |
| SCHEMBL7569813 | 0.74 | ALDH1A1 (0.44) | ALDH1A1TSHRKDM4ETDP1TP53 | |
| SCHEMBL8758537 | 0.73 | ALDH1A1 (0.48) | ALDH1A1TSHRTDP1TP53PELI1 | |
| SCHEMBL9305333 | 0.73 | PELI1 (0.62) | ALDH1A1TSHRHPGDPELI1BACE1 |
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-20170335036-A1 | FUNCTIONALIZED HIGHLY SYNDIOTACTIC POLYSTYRENE AND PREPARATION METHOD THEREOF | CHANGCHUN INSTITUTE OF APPLIED CHEMISTRY CHINESE ACADEMY OF SCIENCES (CN) | 2017-11-23 | — | — | US | disclosed |