Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | SLC13A5 | Q86YT5 | 9/20 | 0.36 |
| ▸ | LMNA | P02545 | 5/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | SLC13A2 | Q13183 | 1/20 | 0.33 |
| ▸ | SLC13A3 | Q8WWT9 | 1/20 | 0.33 |
| ▸ | TBXAS1 | P24557 | 2/20 | 0.33 |
| ▸ | GMNN | O75496 | 1/20 | 0.32 |
| ▸ | ESR1 | P03372 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.32 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL7432321 | 0.83 | CYP1A2 (0.34) | ALDH1A1SLC13A5LMNAKDM4EMAPT | |
| SCHEMBL4060537 | 0.73 | TBXAS1 (0.39) | ALDH1A1LMNAKDM4EMAPTKMT2A | |
| SCHEMBL27568352 | 0.71 | ALDH1A1 (0.44) | ALDH1A1SLC13A5LMNAKDM4EMAPT | |
| SCHEMBL28826320 | 0.71 | ALDH1A1 (0.47) | ALDH1A1SLC13A5LMNAKDM4EMAPT | |
| SCHEMBL25475176 | 0.71 | TBXAS1 (0.33) | ALDH1A1KDM4ETBXAS1TSHRSMN1; SMN2 | |
| SCHEMBL11048265 | 0.71 | TBXAS1 (0.33) | ALDH1A1KDM4ETBXAS1SMN1; SMN2 | |
| SCHEMBL16859463 | 0.71 | TBXAS1 (0.33) | ALDH1A1KDM4EKMT2ATBXAS1SMN1; SMN2 | |
| SCHEMBL16859448 | 0.71 | TBXAS1 (0.33) | ALDH1A1KDM4ETBXAS1SMN1; SMN2 | |
| SCHEMBL11589157 | 0.71 | TBXAS1 (0.44) | ALDH1A1KDM4EKMT2ATBXAS1SMN1; SMN2 | |
| SCHEMBL28299869 | 0.71 | ALDH1A1 (0.56) | ALDH1A1SLC13A5LMNAKDM4EMAPT |
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-2002083938-A2 | SCREENING METHODS FOR IDENTIFYING LIGANDS | EMERALD BIOSTRUCTURES, INC. (US) | 2002-10-24 | — | — | WO | disclosed |