Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | GRM4 | Q14833 | 4/20 | 0.47 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | SLC7A5 | Q01650 | 4/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | USP2 | O75604 | 1/20 | 0.42 |
| ▸ | EGFR | P00533 | 1/20 | 0.42 |
| ▸ | LCK | P06239 | 1/20 | 0.42 |
| ▸ | FYN | P06241 | 1/20 | 0.42 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.42 |
| ▸ | HTR2A | P28223 | 1/20 | 0.42 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.42 |
| ▸ | RECQL | P46063 | 1/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL27497254 | 0.84 | ALDH1A1 (0.52) | ALDH1A1GRM4SLC7A5KDM4EUSP2 | |
| SCHEMBL11397934 | 0.81 | ALDH1A1 (0.73) | ALDH1A1GRM4CA12CA1CA2 | |
| SCHEMBL6935540 | 0.81 | ALDH1A1 (0.73) | ALDH1A1GRM4CA12CA1CA2 | |
| SCHEMBL22557986 | 0.81 | ALDH1A1 (0.73) | ALDH1A1GRM4CA12CA1CA2 | |
| SCHEMBL28040459 | 0.80 | SLC7A5 (0.65) | ALDH1A1GRM4SLC7A5KDM4EUSP2 | |
| SCHEMBL28040458 | 0.80 | SLC7A5 (0.65) | ALDH1A1GRM4SLC7A5KDM4EUSP2 | |
| SCHEMBL108202 | 0.80 | SLC7A5 (0.65) | ALDH1A1GRM4SLC7A5KDM4EUSP2 | |
| SCHEMBL4502044 | 0.80 | SLC7A5 (0.65) | ALDH1A1GRM4SLC7A5KDM4EUSP2 | |
| SCHEMBL1589004 | 0.80 | SLC7A5 (0.65) | ALDH1A1GRM4SLC7A5KDM4EUSP2 | |
| SCHEMBL38175 | 0.80 | SLC7A5 (0.65) | ALDH1A1GRM4SLC7A5KDM4EUSP2 |
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 |
|---|---|---|---|---|---|---|---|
| US-4745124-A | THIO/ESTER PEPTIDES | UNIVERSITY OF MIAMI (US) | 1988-05-17 | — | — | US | disclosed |
| US-4690936-A | AMINO ACIDS, THIOESTER LINKAGE; ANGIOTENSIN INHIBITORS | UNIVERSITY OF MIAMI (US) | 1987-09-01 | — | — | US | disclosed |