Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | SCN4A | P35499 | 8/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.38 |
| ▸ | TSHR | P16473 | 3/20 | 0.38 |
| ▸ | LMNA | P02545 | 3/20 | 0.38 |
| ▸ | SCN1A | P35498 | 2/20 | 0.38 |
| ▸ | SCN5A | Q14524 | 2/20 | 0.38 |
| ▸ | SCN9A | Q15858 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.38 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.38 |
| ▸ | KCNK2 | O95069 | 1/20 | 0.38 |
| ▸ | GBA1 | P04062 | 1/20 | 0.38 |
| ▸ | MAOA | P21397 | 1/20 | 0.38 |
| ▸ | HTR2A | P28223 | 1/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL3900522 | 0.75 | ESR1 (0.44) | ALDH1A1SCN4ACYP1A2TSHRLMNA | |
| SCHEMBL3900176 | 0.73 | TAAR1 (0.46) | ALDH1A1TSHRLMNAACHETAAR1 | |
| SCHEMBL357603 | 0.70 | GABRA1 (0.48) | ALDH1A1CYP1A2TSHRCYP2A6TRPA1 | |
| SCHEMBL29953504 | 0.70 | AKR1B1 (0.46) | ALDH1A1CYP1A2TSHRLMNACYP3A4 | |
| SCHEMBL11739423 | 0.70 | ALDH1A1 (0.42) | ALDH1A1CYP1A2TSHRLMNACYP2A6 | |
| SCHEMBL3786534 | 0.70 | LIPG (0.37) | ALDH1A1SCN4ACYP1A2TSHRLMNA | |
| SCHEMBL8093986 | 0.69 | CYP2A6 (0.47) | ALDH1A1CYP1A2TSHRCYP3A4CYP2A6 | |
| SCHEMBL5250399 | 0.69 | TAAR1 (0.50) | ALDH1A1CYP1A2TSHRCYP2A6TRPA1 | |
| SCHEMBL61913 | 0.67 | ALDH1A1 (0.50) | ALDH1A1CYP1A2TSHRCYP2A6TRPA1 | |
| SCHEMBL8096178 | 0.67 | CYP2A6 (0.45) | ALDH1A1CYP1A2TSHRLMNACYP2A6 |
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 |
|---|---|---|---|---|---|---|---|
| CN-119836415-A | Propionic acid derivative and application thereof in medicine | 西藏海思科制药有限公司 | 2025-04-15 | — | — | CN | disclosed |
| CN-116554378-A | Non-metallocene catalyst, preparation method and application | 万华化学集团股份有限公司 | 2023-08-08 | — | — | CN | disclosed |