Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.84 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.84 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.84 |
| ▸ | LMNA | P02545 | 2/20 | 0.84 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.84 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.84 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.63 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.63 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | PTPRF | P10586 | 1/20 | 0.41 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.41 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | IDH1 | O75874 | 2/20 | 0.39 |
| ▸ | SCN1A | P35498 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL6905580 | 1.00 | ALDH1A1 (0.84) | ALDH1A1CYP3A4CYP2C9LMNACYP2C19 | |
| SCHEMBL3846512 | 1.00 | ALDH1A1 (0.84) | ALDH1A1CYP3A4CYP2C9LMNACYP2C19 | |
| SCHEMBL3846510 | 1.00 | ALDH1A1 (0.84) | ALDH1A1CYP3A4CYP2C9LMNACYP2C19 | |
| SCHEMBL3846508 | 1.00 | ALDH1A1 (0.84) | ALDH1A1CYP3A4CYP2C9LMNACYP2C19 | |
| SCHEMBL6907927 | 1.00 | ALDH1A1 (0.84) | ALDH1A1CYP3A4CYP2C9LMNACYP2C19 | |
| SCHEMBL28268460 | 0.94 | ALDH1A1 (0.76) | ALDH1A1CYP3A4CYP2C9LMNACYP2C19 | |
| Homosalate SCHEMBL16207 | 0.91 | ALDH1A1 (1.00) | ALDH1A1CYP3A4CYP2C9LMNACYP2C19 | |
| Homosalate SCHEMBL3634890 | 0.91 | ALDH1A1 (1.00) | ALDH1A1CYP3A4CYP2C9LMNACYP2C19 | |
| Homosalate SCHEMBL29356436 | 0.91 | ALDH1A1 (1.00) | ALDH1A1CYP3A4CYP2C9LMNACYP2C19 | |
| Homosalate SCHEMBL2808104 | 0.90 | ALDH1A1 (0.97) | ALDH1A1CYP3A4CYP2C9LMNACYP2C19 |
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-6828368-B2 | Useful for the preparation of a heat-sensitive tacky adhesive having excellent adhesive strength and blocking resistance; solid plasticizer | DAICEL CHEMICAL INDUSTRIES, LTD. (JP) | 2004-12-07 | — | — | US | disclosed |