Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | ERN1 | O75460 | 6/20 | 0.40 |
| ▸ | PRKDC | P78527 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | TUBB1 | Q9H4B7 | 1/20 | 0.38 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.35 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | TRIM24 | O15164 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL25665189 | 0.84 | ALDH1A1 (0.42) | ALDH1A1ERN1PRKDCKDM4ETSHR | |
| SCHEMBL5383976 | 0.81 | ALDH1A1 (0.63) | ALDH1A1ERN1PRKDCKDM4ETSHR | |
| SCHEMBL10013760 | 0.79 | ALDH1A1 (0.41) | ALDH1A1ERN1PRKDCKDM4ETSHR | |
| SCHEMBL29459646 | 0.79 | ALDH1A1 (0.58) | ALDH1A1ERN1PRKDCKDM4ETSHR | |
| SCHEMBL1002582 | 0.79 | ALDH1A1 (0.58) | ALDH1A1ERN1PRKDCKDM4ETSHR | |
| SCHEMBL5328582 | 0.79 | ERN1 (0.53) | ALDH1A1ERN1PRKDCLMNACYP1A2 | |
| SCHEMBL1620299 | 0.78 | ALDH1A1 (0.44) | ALDH1A1PRKDCKDM4ETSHRTDP1 | |
| SCHEMBL27731072 | 0.78 | ALDH1A1 (0.49) | ALDH1A1ERN1PRKDCKDM4ETSHR | |
| SCHEMBL23263 | 0.78 | ALDH1A1 (0.50) | ALDH1A1ERN1KDM4ETSHRTDP1 | |
| SCHEMBL2871507 | 0.78 | SRC (0.52) | ALDH1A1ERN1PRKDCKDM4EHPGD |
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-110526854-B | Alpha, beta-unsaturated ketone derivative, preparation method and application thereof as medicine | 宁夏医科大学 | 2023-12-15 | — | — | CN | disclosed |
| EP-0471516-A1 | Tricyclic heterocyclic derivatives | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1992-02-19 | — | — | EP | disclosed |