Known targets — ChEMBL curated mechanism
ACHEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3APH1AAPH1BCHRM2CHRM3EZH2GRIN2AHTR1AHTR1BHTR1DHTR1FHTR3ANCSTNP2RY12PSEN1PSEN2PSENENSIGMAR1SLC6A2SLC6A3SLC6A4
The experimentally established mechanism targets of Bis(Ethyl)Spermine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 3/20 | 0.93 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.93 |
| ▸ | MEN1 | O00255 | 2/20 | 0.87 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.87 |
| ▸ | GLA | P06280 | 1/20 | 0.87 |
| ▸ | KDM1A | O60341 | 5/20 | 0.62 |
| ▸ | TSHR | P16473 | 3/20 | 0.61 |
| ▸ | SAT1 | P21673 | 3/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.56 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | CA12 | O43570 | 3/20 | 0.42 |
| ▸ | CA2 | P00918 | 3/20 | 0.42 |
| ▸ | CA4 | P22748 | 3/20 | 0.42 |
| ▸ | CA6 | P23280 | 3/20 | 0.42 |
| ▸ | CA5A | P35218 | 3/20 | 0.42 |
| ▸ | CA7 | P43166 | 3/20 | 0.42 |
| ▸ | CA9 | Q16790 | 3/20 | 0.42 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.42 |
| ▸ | CA5B | Q9Y2D0 | 3/20 | 0.42 |
| ▸ | CA3 | P07451 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL4171429 | 0.97 | CYP2C19 (1.00) | CYP2C19CYP1A2MEN1KMT2AGLA | |
| SCHEMBL4157457 | 0.97 | CYP2C19 (1.00) | CYP2C19CYP1A2MEN1KMT2AGLA | |
| SCHEMBL7871599 | 0.97 | CYP2C19 (1.00) | CYP2C19CYP1A2MEN1KMT2AGLA | |
| Bis(Ethyl)Spermine SCHEMBL7092466 | 0.97 | CYP2C19 (1.00) | CYP2C19CYP1A2MEN1KMT2AGLA | |
| SCHEMBL10045117 | 0.97 | CYP2C19 (1.00) | CYP2C19CYP1A2MEN1KMT2AGLA | |
| SCHEMBL4167237 | 0.97 | CYP2C19 (1.00) | CYP2C19CYP1A2MEN1KMT2AGLA | |
| SCHEMBL6899291 | 0.97 | CYP2C19 (1.00) | CYP2C19CYP1A2MEN1KMT2AGLA | |
| SCHEMBL2529872 | 0.93 | CYP2C19 (0.93) | CYP2C19CYP1A2MEN1KMT2AGLA | |
| SCHEMBL10045203 | 0.93 | CYP2C19 (0.93) | CYP2C19CYP1A2MEN1KMT2AGLA | |
| SCHEMBL10045209 | 0.93 | CYP2C19 (0.93) | CYP2C19CYP1A2MEN1KMT2AGLA |
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 |
|---|---|---|---|---|---|---|---|
| EP-0686142-B1 | POLYAMINE DERIVATIVES AS RADIOPROTECTIVE AGENTS | MERRELL PHARMA INC (US) | 1998-12-30 | — | — | EP | disclosed |
| EP-0686142-A1 | POLYAMINE DERIVATIVES AS RADIOPROTECTIVE AGENTS | MERRELL PHARMACEUTICALS INC. (US) | 1995-12-13 | — | — | EP | disclosed |
| WO-1994019311-A1 | POLYAMINE DERIVATIVES AS RADIOPROTECTIVE AGENTS | MERRELL DOW PHARMACEUTICALS INC. (US) | 1994-09-01 | — | — | WO | disclosed |