Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | PLAAT5 | Q96KN8 | 3/20 | 0.43 |
| ▸ | PLAAT4 | Q9UL19 | 3/20 | 0.43 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.42 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | PLAAT3 | P53816 | 2/20 | 0.41 |
| ▸ | PLAAT2 | Q9NWW9 | 2/20 | 0.41 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.40 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.40 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.40 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL7058635 | 0.84 | TSHR (0.54) | KMT2AMEN1ALDH1A1KEAP1TDP1 | |
| SCHEMBL7061795 | 0.80 | ALDH1A1 (0.47) | KMT2AMEN1ALDH1A1KEAP1TDP1 | |
| SCHEMBL991969 | 0.75 | ALDH1A1 (0.57) | ALDH1A1KEAP1TDP1PLAAT5PLAAT4 | |
| SCHEMBL7641654 | 0.75 | HDAC1 (0.53) | KMT2ATDP1PLAAT5PLAAT4TSHR | |
| SCHEMBL7061750 | 0.75 | TDP1 (0.50) | KMT2AMEN1ALDH1A1KEAP1TDP1 | |
| Hydrochloric Acid SCHEMBL5708139 | 0.75 | TSHR (0.47) | KMT2AALDH1A1ALOX5TSHRCHRNB2 | |
| SCHEMBL7641646 | 0.74 | MAPT (0.53) | KMT2AALDH1A1PLAAT5PLAAT4ALOX5 | |
| SCHEMBL10751276 | 0.73 | TSHR (0.67) | KMT2AALDH1A1TSHRCHRNB2CHRNB4 | |
| SCHEMBL7635416 | 0.73 | MAPT (0.56) | PLAAT5PLAAT4ALOX5TSHRPLAAT3 | |
| SCHEMBL7277555 | 0.73 | CHRM1 (0.52) | KMT2AALDH1A1KEAP1TDP1PLAAT5 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4472380-A | CARBOXYALKYL DIPEPTIDE DERIVATIVES | MERCK & CO., INC. (US) | 1984-09-18 | — | — | US | disclosed |
| US-4374829-A | Aminoacid derivatives as antihypertensives | MERCK & CO., INC. (US) | 1983-02-22 | — | — | US | disclosed |
| EP-0012401-A1 | Carboxyalkyl dipeptide derivatives, process for preparing them and pharmaceutical composition containing them | MERCK & CO. INC. (US) | 1980-06-25 | — | — | EP | disclosed |