Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | GLA | P06280 | 1/20 | 0.36 |
| ▸ | KDM6B | O15054 | 1/20 | 0.35 |
| ▸ | KDM5C | P41229 | 1/20 | 0.35 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.35 |
| ▸ | PHF8 | Q9UPP1 | 1/20 | 0.35 |
| ▸ | KDM2A | Q9Y2K7 | 1/20 | 0.35 |
| ▸ | BLM | P54132 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | SLC18A3 | Q16572 | 1/20 | 0.33 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.32 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL11593236 | 0.84 | CYP1A2 (0.53) | ALDH1A1CYP1A2MAPK1SMN1; SMN2LMNA | |
| SCHEMBL31618323 | 0.83 | CYP1A2 (0.56) | ALDH1A1CYP1A2MAPK1SMN1; SMN2LMNA | |
| SCHEMBL11600680 | 0.80 | ALDH1A1 (0.43) | ALDH1A1SMN1; SMN2KDM4ESIGMAR1MEN1 | |
| SCHEMBL6968727 | 0.79 | GAA (0.42) | ALDH1A1CYP1A2SMN1; SMN2BLMKDM4E | |
| SCHEMBL12551090 | 0.79 | ALDH1A1 (0.41) | ALDH1A1CYP1A2MAPK1SMN1; SMN2LMNA | |
| SCHEMBL11168140 | 0.78 | DGKA (0.57) | ALDH1A1LMNAKDM4ETSHRMEN1 | |
| SCHEMBL3696431 | 0.78 | DGKA (0.57) | ALDH1A1LMNAKDM4ETSHRMEN1 | |
| SCHEMBL128123 | 0.78 | GLA (0.55) | ALDH1A1CYP1A2MAPK1SMN1; SMN2LMNA | |
| SCHEMBL7098682 | 0.77 | CYP1A2 (0.48) | ALDH1A1CYP1A2MAPK1SMN1; SMN2LMNA | |
| SCHEMBL11109706 | 0.77 | ALDH1A1 (0.41) | ALDH1A1CYP1A2MAPK1SMN1; SMN2LMNA |
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-4098891-A | CERTAIN S-TRIAZINES AS LIPOGENESIS INHIBITORS | SHELL OIL COMPANY (US) | 1978-07-04 | — | — | US | disclosed |