Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ELANE | P08246 | 2/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | HPGD | P15428 | 2/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.48 |
| ▸ | MEN1 | O00255 | 3/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 3/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL27500000 | 0.86 | SMN1; SMN2 (0.46) | ALDH1A1HPGDL3MBTL1POLBSMN1; SMN2 | |
| Toluene SCHEMBL27616428 | 0.85 | MEN1 (0.49) | ALDH1A1SMN1; SMN2MEN1KMT2ANPC1 | |
| Phenol SCHEMBL27447861 | 0.84 | KMT2A (0.47) | ALDH1A1HPGDPOLBSMN1; SMN2MEN1 | |
| SCHEMBL6359999 | 0.82 | ALOX5 (0.51) | ALDH1A1HPGDL3MBTL1SMN1; SMN2MEN1 | |
| Phenol SCHEMBL28177205 | 0.82 | KMT2A (0.46) | ALDH1A1HPGDPOLBSMN1; SMN2MEN1 | |
| Benzophenone SCHEMBL7081803 | 0.81 | ALDH1A1 (0.54) | ELANEALDH1A1HPGDL3MBTL1POLB | |
| Benzophenone SCHEMBL9063769 | 0.81 | ALOX15 (0.58) | ELANEALDH1A1HPGDL3MBTL1PTGS2 | |
| SCHEMBL6301356 | 0.80 | CYP1A2 (0.47) | ALDH1A1SMN1; SMN2MEN1KMT2ANPC1 | |
| Benzophenone SCHEMBL8217631 | 0.79 | ELANE (0.58) | ELANEALDH1A1HPGDL3MBTL1PTGS2 | |
| SCHEMBL15753014 | 0.79 | KMT2A (0.55) | ELANEALDH1A1HPGDL3MBTL1PTGS2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-107986978-A | A kind of preparation method of cardiotonic agents Sha Kubi song intermediates | 临沂齐泽医药技术有限公司 | 2018-05-04 | — | — | CN | claimed |
| CN-107954886-A | A kind of method for preparing anti-heart failure enkephalinase inhibitor Sha Kubi song intermediates | 临沂齐泽医药技术有限公司 | 2018-04-24 | — | — | CN | claimed |
| CN-107986978-A | A kind of preparation method of cardiotonic agents Sha Kubi song intermediates | 临沂齐泽医药技术有限公司 | 2018-05-04 | — | — | CN | disclosed |