Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.51 |
| ▸ | MAPT | P10636 | 5/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | HTR2A | P28223 | 1/20 | 0.44 |
| ▸ | HRH1 | P35367 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 4/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | HTT | P42858 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL7265989 | 0.89 | KCNH2 (0.50) | ALDH1A1KDM4EMAPTGAAMEN1 | |
| Hydrochloric Acid SCHEMBL7267924 | 0.88 | KCNH2 (0.49) | ALDH1A1KDM4EMAPTGAAMEN1 | |
| SCHEMBL11115510 | 0.87 | ALDH1A1 (0.58) | ALDH1A1KDM4EMAPTMEN1KMT2A | |
| SCHEMBL7268018 | 0.84 | KDM4E (0.65) | ALDH1A1KDM4EMAPTGAAMEN1 | |
| SCHEMBL11130018 | 0.83 | MEN1 (0.48) | KDM4EGAAMEN1KMT2A | |
| SCHEMBL9750655 | 0.80 | HTR2A (0.58) | ALDH1A1KDM4EHTR2AHRH1SMN1; SMN2 | |
| SCHEMBL11130111 | 0.80 | TSHR (0.57) | ALDH1A1MAPTGAAHTR2AHRH1 | |
| SCHEMBL11112083 | 0.79 | CYP1A2 (0.68) | ALDH1A1KDM4EMAPTMEN1KMT2A | |
| SCHEMBL11110461 | 0.78 | TSHR (0.59) | ALDH1A1MAPTGAAHTR2AHRH1 | |
| SCHEMBL15720901 | 0.78 | KDM4E (0.73) | ALDH1A1KDM4EMAPTGAAMEN1 |
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-4988735-A | Ethylene diamine active cardiovascular therapy | SIMES (IT) | 1991-01-29 | — | — | US | disclosed |
| 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 |