Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | TP53 | P04637 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 3/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.37 |
| ▸ | ESR1 | P03372 | 2/20 | 0.37 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.37 |
| ▸ | KDR | P35968 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | GABRP | O00591 | 1/20 | 0.37 |
| ▸ | GABRD | O14764 | 1/20 | 0.37 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.37 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.37 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.37 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL21596476 | 0.89 | OPRK1 (0.40) | ALDH1A1TP53KDM4EHSD17B10TSHR | |
| SCHEMBL9383978 | 0.88 | CASP1 (0.47) | ALDH1A1KDM4ETSHRGABRA1GABRG2 | |
| SCHEMBL21596477 | 0.85 | OPRK1 (0.40) | TP53KDM4EHSD17B10TSHRMAPT | |
| SCHEMBL28533997 | 0.82 | ALDH1A1 (0.46) | ALDH1A1LMNATP53SMN1; SMN2KDM4E | |
| SCHEMBL1505507 | 0.80 | OPRK1 (0.46) | ALDH1A1KDM4ETSHR | |
| SCHEMBL21596479 | 0.76 | CA12 (0.41) | ALDH1A1LMNAKDM4EHSD17B10L3MBTL1 | |
| SCHEMBL28528395 | 0.76 | GABRG2 (0.41) | ALDH1A1TDP1GABRPGABRDGABRA1 | |
| SCHEMBL3433011 | 0.75 | TSHR (0.50) | ALDH1A1LMNATP53HSD17B10TSHR | |
| SCHEMBL1505647 | 0.75 | TSHR (0.54) | ALDH1A1LMNATP53KDM4EHSD17B10 | |
| SCHEMBL23620367 | 0.73 | ALDH1A1 (0.49) | ALDH1A1LMNATP53KDM4ETSHR |
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 |
|---|---|---|---|---|---|---|---|
| CN-112334457-A | Process for preparing tricyclic compounds | 拜耳公司 | 2021-02-05 | — | — | CN | disclosed |