Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.57 |
| ▸ | TSHR | P16473 | 2/20 | 0.57 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.42 |
| ▸ | ERN1 | O75460 | 2/20 | 0.38 |
| ▸ | SRC | P12931 | 2/20 | 0.34 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | TPMT | P51580 | 1/20 | 0.31 |
| ▸ | ACHE | P22303 | 1/20 | 0.31 |
| ▸ | NOS3 | P29474 | 1/20 | 0.30 |
| ▸ | NOS1 | P29475 | 1/20 | 0.30 |
| ▸ | NOS2 | P35228 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL6009914 | 1.00 | ALDH1A1 (0.57) | ALDH1A1TSHRCYP2A6ERN1SRC | |
| SCHEMBL280640 | 0.87 | CYP2A6 (0.52) | ALDH1A1TSHRCYP2A6ERN1SRC | |
| Hydrochloric Acid SCHEMBL28065211 | 0.85 | CYP2A6 (0.50) | ALDH1A1TSHRCYP2A6ERN1SRC | |
| SCHEMBL8462178 | 0.82 | CYP19A1 (0.40) | ALDH1A1TSHRCYP2A6CYP19A1NPSR1 | |
| SCHEMBL178489 | 0.82 | CYP19A1 (0.46) | ALDH1A1TSHRCYP2A6CYP19A1NPSR1 | |
| SCHEMBL3129625 | 0.82 | CYP2A6 (0.52) | ALDH1A1TSHRCYP2A6ERN1SRC | |
| SCHEMBL22572944 | 0.76 | ALDH1A1 (0.57) | ALDH1A1TSHRCYP19A1SMN1; SMN2ACHE | |
| SCHEMBL33318 | 0.76 | — | — | |
| SCHEMBL28950896 | 0.74 | CYP2A6 (0.74) | ALDH1A1TSHRCYP2A6ERN1KDM4E | |
| SCHEMBL21611339 | 0.73 | ALDH1A1 (0.92) | ALDH1A1TSHRKDM4ESMN1; SMN2TPMT |
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-20220340893-A1 | BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES | NUEVOLUTION A/S (DK) | 2022-10-27 | — | — | US | disclosed |