Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of 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 | |
|---|---|---|---|---|
| ▸ | ESR1 known ✓ | P03372 | 1/20 | 0.46 |
| ▸ | PAOX | Q6QHF9 | 3/20 | 0.67 |
| ▸ | UBE2N | P61088 | 1/20 | 0.67 |
| ▸ | MAPT | P10636 | 1/20 | 0.67 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.67 |
| ▸ | LMNA | P02545 | 1/20 | 0.64 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.64 |
| ▸ | CA12 | O43570 | 2/20 | 0.62 |
| ▸ | F13A1 | P00488 | 2/20 | 0.62 |
| ▸ | CA2 | P00918 | 2/20 | 0.62 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.62 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.62 |
| ▸ | CA4 | P22748 | 2/20 | 0.62 |
| ▸ | CA6 | P23280 | 2/20 | 0.62 |
| ▸ | CA5A | P35218 | 2/20 | 0.62 |
| ▸ | THPO | P40225 | 2/20 | 0.62 |
| ▸ | CA7 | P43166 | 2/20 | 0.62 |
| ▸ | CA9 | Q16790 | 2/20 | 0.62 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.62 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.62 |
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 | |
|---|---|---|---|---|
| Spermine SCHEMBL7261475 | 0.98 | PAOX (0.69) | PAOXUBE2NMAPTPMP22LMNA | |
| Spermine SCHEMBL6422290 | 0.98 | PAOX (0.69) | PAOXUBE2NMAPTPMP22LMNA | |
| Spermine SCHEMBL625285 | 0.98 | PAOX (0.69) | PAOXUBE2NMAPTPMP22LMNA | |
| Spermidine SCHEMBL7264809 | 0.95 | PAOX (0.67) | PAOXUBE2NMAPTPMP22LMNA | |
| Spermidine SCHEMBL5615318 | 0.95 | PAOX (0.67) | PAOXUBE2NMAPTPMP22LMNA | |
| Spermidine SCHEMBL10961981 | 0.95 | PAOX (0.67) | PAOXUBE2NMAPTPMP22LMNA | |
| Acetic Acid SCHEMBL8379230 | 0.91 | PAOX (0.67) | PAOXUBE2NMAPTPMP22LMNA | |
| Spermine SCHEMBL5373330 | 0.88 | PAOX (0.69) | PAOXUBE2NMAPTPMP22LMNA | |
| Acetic Acid SCHEMBL134140 | 0.87 | PAOX (0.63) | PAOXUBE2NMAPTPMP22CA12 | |
| Acetic Acid SCHEMBL8629653 | 0.86 | PAOX (0.57) | PAOXUBE2NMAPTPMP22LMNA |
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 |
|---|---|---|---|---|---|---|---|
| US-8785424-B2 | ngCycloartanone derivatives with anticancer activity | PIERRE FABRE MEDICAMENT (FR) | 2014-07-22 | — | — | US | disclosed |
| US-20120077777-A1 | NGCYCLOARTANONE DERIVATIVES WITH ANTICANCER ACTIVITY | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) | 2012-03-29 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20120077777-A1 | NGCYCLOARTANONE DERIVATIVES WITH ANTICANCER ACTIVITY | PKD1, NME1, NGLY1 | ESR1 2323/4885PAOX 538/4885UBE2N 2992/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.