Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.33 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.33 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.33 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.33 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.33 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.32 |
| ▸ | TAS1R3 | Q7RTX0 | 2/20 | 0.31 |
| ▸ | TAS1R1 | Q7RTX1 | 2/20 | 0.31 |
| ▸ | SLC1A3 | P43003 | 2/20 | 0.31 |
| ▸ | SLC1A2 | P43004 | 2/20 | 0.31 |
| ▸ | SLC1A1 | P43005 | 2/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL5199701 | 0.83 | ALDH1A1 (0.44) | ALDH1A1TSHRTDP1CHRNB2CHRNB4 | |
| SCHEMBL21156384 | 0.80 | ALDH1A1 (0.41) | ALDH1A1TSHRCHRNB2CHRNB4CHRNA3 | |
| SCHEMBL5066935 | 0.79 | ALDH1A1 (0.55) | ALDH1A1TSHRTDP1CHRNB2CHRNB4 | |
| SCHEMBL4440288 | 0.79 | ALDH1A1 (0.39) | ALDH1A1TSHRCHRNB2CHRNB4CHRNA3 | |
| SCHEMBL13275281 | 0.79 | ALDH1A1 (0.39) | ALDH1A1TSHR | |
| SCHEMBL6310633 | 0.79 | ALDH1A1 (0.39) | ALDH1A1TSHRTDP1CHRNB2CHRNB4 | |
| SCHEMBL5069327 | 0.79 | ALDH1A1 (0.39) | ALDH1A1TSHRCHRNB2CHRNB4CHRNA3 | |
| SCHEMBL1081809 | 0.79 | ALDH1A1 (0.39) | ALDH1A1TSHRCHRNB2CHRNB4CHRNA3 | |
| SCHEMBL3957537 | 0.79 | ALDH1A1 (0.39) | ALDH1A1TSHRTDP1CHRNB2CHRNB4 | |
| SCHEMBL188152 | 0.77 | ALDH1A1 (0.38) | ALDH1A1TSHRCHRNB2CHRNB4CHRNA3 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0397802-B1 | COMPLETE ETHER CAPPING OF OLIGOMERIC POLYPHENOLS | ALLIED SIGNAL INC (US) | 1994-01-19 | — | — | EP | disclosed |
| US-4871831-A | Complete ether capping of oligomeric polyphenols | ALLIED-SIGNAL INC. (US) | 1989-10-03 | — | — | US | disclosed |