Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 8/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 8/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 7/20 | 0.37 |
| ▸ | PDE9A | O76083 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 6/20 | 0.36 |
| ▸ | RAB9A | P51151 | 4/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 4/20 | 0.36 |
| ▸ | HPGD | P15428 | 4/20 | 0.36 |
| ▸ | MAPT | P10636 | 3/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.36 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.36 |
| ▸ | RELA | Q04206 | 2/20 | 0.36 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.35 |
| ▸ | MEN1 | O00255 | 4/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | RECQL | P46063 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL23401005 | 0.79 | RAB9A (0.39) | TSHRRAB9ASMN1; SMN2ALOX15HPGD | |
| SCHEMBL23401972 | 0.79 | RAB9A (0.38) | CYP1A2CYP3A4CYP2D6PDE9ATSHR | |
| SCHEMBL23400303 | 0.77 | HIF1A (0.43) | CYP1A2CYP3A4CYP2D6TSHRRAB9A | |
| SCHEMBL23399273 | 0.77 | ESR1 (0.40) | CYP1A2CYP3A4CYP2D6TSHRRAB9A | |
| SCHEMBL23398900 | 0.76 | MAPT (0.36) | CYP1A2CYP3A4CYP2D6PDE9ATSHR | |
| SCHEMBL23401600 | 0.75 | NPC1 (0.40) | CYP1A2CYP3A4PDE9ARAB9AHPGD | |
| SCHEMBL11965003 | 0.74 | PDE9A (0.38) | CYP1A2PDE9ATSHRRAB9ASMN1; SMN2 | |
| SCHEMBL23399096 | 0.74 | DRD4 (0.35) | PDE9A | |
| SCHEMBL23401279 | 0.73 | MAPK14 (0.43) | CYP1A2CYP3A4CYP2D6TSHRRAB9A | |
| SCHEMBL23399941 | 0.73 | CYP17A1 (0.46) | CYP1A2TSHRRAB9AUSP2KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| EP-3828159-A1 | STORAGE AND TRANSPORT STABILIZERS FOR POLYMERIZABLE COMPOUNDS | BASF SE (DE) | 2021-06-02 | — | — | EP | disclosed |