Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 3/20 | 0.33 |
| ▸ | CA2 | P00918 | 3/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | SNCA | P37840 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 3/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.33 |
| ▸ | MAPT | P10636 | 3/20 | 0.32 |
| ▸ | RHOA | P61586 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 2/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL10850059 | 0.83 | CYP3A4 (0.39) | CYP3A4ALDH1A1HSD17B10TSHRCA1 | |
| SCHEMBL484558 | 0.79 | CYP3A4 (0.45) | CYP3A4ALDH1A1HSD17B10TSHRCA1 | |
| SCHEMBL11313304 | 0.69 | TSHR (0.36) | CYP3A4ALDH1A1HSD17B10TSHRCA1 | |
| SCHEMBL29007199 | 0.66 | CYP3A4 (0.51) | CYP3A4ALDH1A1HSD17B10TSHRCA1 | |
| SCHEMBL461106 | 0.63 | CYP3A4 (0.52) | CYP3A4ALDH1A1HSD17B10TSHRCA1 | |
| SCHEMBL19278917 | 0.63 | CYP3A4 (0.44) | CYP3A4ALDH1A1HSD17B10TSHRCA1 | |
| SCHEMBL6433950 | 0.63 | CYP3A4 (0.44) | CYP3A4ALDH1A1HSD17B10TSHRCA1 | |
| SCHEMBL7631407 | 0.62 | CYP3A4 (0.59) | CYP3A4ALDH1A1HSD17B10TSHRKDM4E | |
| SCHEMBL175786 | 0.61 | SNCA (0.67) | CYP3A4ALDH1A1HSD17B10TSHRCA1 | |
| SCHEMBL209680 | 0.61 | CYP3A4 (0.70) | CYP3A4ALDH1A1HSD17B10TSHRKDM4E |
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-4585875-A | FROM 4-CHLOROMETHYL BENZOIC IMIDO ESTER | HOECHST AKTIENGESELLSCHAFT (DE) | 1986-04-29 | — | — | US | disclosed |