Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.42 |
| ▸ | DRD2 | P14416 | 4/20 | 0.32 |
| ▸ | DRD3 | P35462 | 4/20 | 0.32 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.32 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.32 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.32 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.31 |
| ▸ | PNMT | P11086 | 1/20 | 0.31 |
| ▸ | NAMPT | P43490 | 1/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | CASP1 | P29466 | 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 | |
|---|---|---|---|---|
| SCHEMBL7044069 | 0.83 | TRPA1 (0.36) | CYP2A6TRPA1KDM4EALDH1A1 | |
| SCHEMBL166962 | 0.79 | CYP1A2 (0.38) | CYP2A6DRD2TRPA1KDM4EALDH1A1 | |
| SCHEMBL11631831 | 0.79 | TRPA1 (0.46) | DRD2DRD3TRPA1PNMTNAMPT | |
| SCHEMBL6860681 | 0.76 | CYP1A2 (0.38) | CYP2A6DRD2TRPA1KDM4EALDH1A1 | |
| SCHEMBL11632026 | 0.75 | ALDH1A1 (0.44) | DRD3OPRD1ALDH1A1TSHRCASP1 | |
| SCHEMBL11633508 | 0.70 | — | — | |
| SCHEMBL5684781 | 0.70 | CYP2A6 (0.51) | CYP2A6LOXL2TSHR | |
| SCHEMBL2308285 | 0.69 | GAA (0.37) | KDM4EALDH1A1TSHR | |
| SCHEMBL4379538 | 0.68 | HTR2A (0.39) | DRD2DRD3ALDH1A1TSHR | |
| SCHEMBL215978 | 0.68 | SLC6A2 (0.31) | CYP2A6ALDH1A1 |
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-4103015-A | TRICYCLIC THIOXANTHONE-10,10-DIOXIDES | BURROUGHS WELLCOME CO. (US) | 1978-07-25 | — | — | US | disclosed |