Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL14417457 | 0.83 | CYP1A2 (0.50) | CYP1A2 | |
| SCHEMBL3126692 | 0.82 | — | — | |
| SCHEMBL2140191 | 0.82 | CYP1A2 (0.52) | CYP1A2HSD17B10 | |
| SCHEMBL26047287 | 0.80 | CYP1A2 (0.39) | CYP1A2CYP2C9HPGDMAPK1HIF1A | |
| Hydrochloric Acid SCHEMBL22771846 | 0.79 | CYP1A2 (0.50) | CYP1A2HPGDHSD17B10MAPT | |
| SCHEMBL1720096 | 0.76 | — | — | |
| Diethylaminoethanol SCHEMBL3114 | 0.76 | — | — | |
| SCHEMBL35602 | 0.76 | — | — | |
| Diethylaminoethanol SCHEMBL10699915 | 0.76 | — | — | |
| SCHEMBL21038241 | 0.76 | KCNH2 (0.44) | CYP1A2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023111396-A1 | PHARMACEUTICAL COMPOSITION COMPRISING P-BORONOPHENYLALANINE | TENBORON OY (FI) | 2023-06-22 | — | — | WO | disclosed |
| WO-2020038755-A1 | CATALYST FOR PIR/PUR FOAM PRODUCTION | HUNTSMAN INTERNATIONAL LLC (US) | 2020-02-27 | — | — | WO | disclosed |