Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.36 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 3/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
| ▸ | BLM | P54132 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | TRIM24 | O15164 | 1/20 | 0.31 |
| ▸ | TRIM33 | Q9UPN9 | 1/20 | 0.31 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.31 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.31 |
| ▸ | CES2 | O00748 | 2/20 | 0.31 |
| ▸ | CES1 | P23141 | 2/20 | 0.31 |
| ▸ | DAO | P14920 | 1/20 | 0.31 |
| ▸ | NAPRT | Q6XQN6 | 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 | |
|---|---|---|---|---|
| SCHEMBL5450 | 0.84 | — | — | |
| SCHEMBL28802562 | 0.81 | CA4 (0.35) | ALDH1A1TDP1 | |
| Hydrochloric Acid SCHEMBL28053915 | 0.81 | — | — | |
| Water SCHEMBL6421934 | 0.81 | ALDH1A1 (0.37) | ALDH1A1TDP1MAPK1TSHRLMNA | |
| Water SCHEMBL5110307 | 0.81 | — | — | |
| Bromide SCHEMBL3131534 | 0.81 | — | — | |
| Ethyne SCHEMBL11077452 | 0.78 | ALDH1A1 (0.35) | ALDH1A1TDP1TSHRTRPA1 | |
| Hydrochloric Acid SCHEMBL30169698 | 0.78 | ALDH1A1 (0.35) | ALDH1A1TDP1TSHRTRPA1 | |
| Formic Acid SCHEMBL23467134 | 0.76 | CYP2A6 (0.41) | ALDH1A1CYP2A6TDP1TSHRLMNA | |
| Formic Acid SCHEMBL31379027 | 0.74 | CES2 (0.39) | ALDH1A1CYP2A6TDP1MAPK1MEN1 |
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-117466942-A | Chiral secondary phosphine oxide compound, chiral quinazolinone/pyrimidinone ring derivative based on chiral secondary phosphine oxide compound and application of chiral quinazolinone/pyrimidinone ring derivative | 中山大学 | 2024-01-30 | — | — | CN | disclosed |
| CN-115043775-A | Chiral pyridoxal catalyst and preparation method and application thereof | 上海师范大学 | 2022-09-13 | — | — | CN | disclosed |