Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.58 |
| ▸ | HPGD | P15428 | 3/20 | 0.58 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.58 |
| ▸ | LMNA | P02545 | 2/20 | 0.55 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.55 |
| ▸ | TMEM97 | Q5BJF2 | 2/20 | 0.54 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.54 |
| ▸ | POLB | P06746 | 2/20 | 0.50 |
| ▸ | ATM | Q13315 | 1/20 | 0.50 |
| ▸ | CCR5 | P51681 | 1/20 | 0.50 |
| ▸ | ACHE | P22303 | 1/20 | 0.49 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.48 |
| ▸ | GLA | P06280 | 1/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL7038632 | 0.84 | ALDH1A1 (0.61) | ALDH1A1HPGDSMN1; SMN2LMNAL3MBTL1 | |
| SCHEMBL2748233 | 0.81 | ALDH1A1 (0.67) | ALDH1A1HPGDSMN1; SMN2LMNAL3MBTL1 | |
| SCHEMBL4488519 | 0.77 | ALDH1A1 (0.66) | ALDH1A1HPGDSMN1; SMN2LMNAL3MBTL1 | |
| SCHEMBL11405734 | 0.76 | EPHX2 (0.71) | ALDH1A1HPGDLMNAL3MBTL1TMEM97 | |
| SCHEMBL656530 | 0.75 | ALDH1A1 (0.71) | ALDH1A1HPGDSMN1; SMN2LMNAL3MBTL1 | |
| SCHEMBL1705610 | 0.75 | SMN1; SMN2 (0.65) | ALDH1A1HPGDSMN1; SMN2LMNAL3MBTL1 | |
| SCHEMBL8298069 | 0.74 | ALDH1A1 (0.70) | ALDH1A1HPGDSMN1; SMN2LMNAL3MBTL1 | |
| SCHEMBL11112888 | 0.74 | ALDH1A1 (0.71) | ALDH1A1HPGDSMN1; SMN2LMNAL3MBTL1 | |
| SCHEMBL11117201 | 0.74 | KMT2A (0.57) | ALDH1A1HPGDSMN1; SMN2LMNAL3MBTL1 | |
| SCHEMBL9492603 | 0.74 | ALDH1A1 (0.76) | ALDH1A1HPGDSMN1; SMN2LMNAL3MBTL1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0041757-B1 | ETHYLENDIAMINE DERIVATIVES, PREPARATION THEREOF, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AND INTERMEDIATES FOR THEIR PREPARATION | Simes S.p.A. (IT) | 1984-11-07 | — | — | EP | disclosed |
| EP-0041757-A1 | Ethylendiamine derivatives, preparation thereof, pharmaceutical compositions containing same and intermediates for their preparation | Simes S.p.A. (IT) | 1981-12-16 | — | — | EP | disclosed |