Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LCK | P06239 | 2/20 | 0.65 |
| ▸ | ALOX15 | P16050 | 7/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.50 |
| ▸ | RECQL | P46063 | 3/20 | 0.50 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.50 |
| ▸ | USP2 | O75604 | 2/20 | 0.50 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.50 |
| ▸ | HTR2A | P28223 | 2/20 | 0.50 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.50 |
| ▸ | MMP1 | P03956 | 1/20 | 0.50 |
| ▸ | MMP2 | P08253 | 1/20 | 0.50 |
| ▸ | MMP3 | P08254 | 1/20 | 0.50 |
| ▸ | MMP9 | P14780 | 1/20 | 0.50 |
| ▸ | MMP12 | P39900 | 1/20 | 0.50 |
| ▸ | MMP13 | P45452 | 1/20 | 0.50 |
| ▸ | EGFR | P00533 | 1/20 | 0.50 |
| ▸ | FYN | P06241 | 1/20 | 0.50 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL15275678 | 0.88 | LCK (0.52) | LCKALOX15KDM4EHSD17B10RECQL | |
| SCHEMBL5310702 | 0.86 | LCK (0.67) | LCKALOX15KDM4EHSD17B10RECQL | |
| SCHEMBL8008620 | 0.86 | LCK (0.67) | LCKALOX15KDM4EHSD17B10RECQL | |
| Hydrochloric Acid SCHEMBL21834067 | 0.85 | LCK (0.65) | LCKALOX15KDM4EHSD17B10RECQL | |
| SCHEMBL11864242 | 0.84 | LCK (0.68) | LCKALOX15KDM4EHSD17B10RECQL | |
| SCHEMBL10792638 | 0.84 | LCK (0.71) | LCKALOX15KDM4EHSD17B10RECQL | |
| SCHEMBL15976477 | 0.84 | LCK (0.71) | LCKALOX15KDM4EHSD17B10RECQL | |
| SCHEMBL15976476 | 0.84 | LCK (0.71) | LCKALOX15KDM4EHSD17B10RECQL | |
| SCHEMBL10792628 | 0.84 | LCK (0.71) | LCKALOX15KDM4EHSD17B10RECQL | |
| SCHEMBL30287608 | 0.83 | KDM4E (0.63) | LCKALOX15KDM4EHSD17B10RECQL |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4170654-A | Antihypertensive compositions containing N-heterocyclicalanines and α- | MERCK & CO., INC. (US) | 1979-10-09 | — | — | US | disclosed |
| US-4160835-A | Antihypertensive compositions containing an arylsubstituted alanine and a phenyl hydrazinopropionic acid | MERCK & CO., INC. (US) | 1979-07-10 | — | — | US | disclosed |
| US-4156734-A | Antihypertensive compositions containing an aryl-substituted alanine azo and an arylhydrazino-propionic acid | MERCK & CO., INC. (US) | 1979-05-29 | — | — | US | disclosed |
| US-4069333-A | 2-HYDRAZINO-3-PHENYLPROPIONIC ACID DECARBOXYLASE INHIBITORS, BENZOXAZOLE ANALINES | MERCK & CO., INC. (US) | 1978-01-17 | — | — | US | disclosed |
| US-4051251-A | DECARBOXYLASE INHIBITOR, BENZIMIDAZOLE AND BENZOXAZOLE ALANINES N | MERCK & CO., INC. (US) | 1977-09-27 | — | — | US | disclosed |