Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Spermidine. 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 | |
|---|---|---|---|---|
| ▸ | PAOX | Q6QHF9 | 3/20 | 0.67 |
| ▸ | CA12 | O43570 | 2/20 | 0.67 |
| ▸ | F13A1 | P00488 | 2/20 | 0.67 |
| ▸ | CA2 | P00918 | 2/20 | 0.67 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.67 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.67 |
| ▸ | CA4 | P22748 | 2/20 | 0.67 |
| ▸ | CA6 | P23280 | 2/20 | 0.67 |
| ▸ | CA5A | P35218 | 2/20 | 0.67 |
| ▸ | THPO | P40225 | 2/20 | 0.67 |
| ▸ | CA7 | P43166 | 2/20 | 0.67 |
| ▸ | CA9 | Q16790 | 2/20 | 0.67 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.67 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.67 |
| ▸ | CA1 | P00915 | 1/20 | 0.67 |
| ▸ | CA3 | P07451 | 1/20 | 0.67 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.67 |
| ▸ | PKM | P14618 | 1/20 | 0.67 |
| ▸ | TSHR | P16473 | 1/20 | 0.67 |
| ▸ | MTOR | P42345 | 1/20 | 0.67 |
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 | |
|---|---|---|---|---|
| Spermidine SCHEMBL7264809 | 1.00 | PAOX (0.67) | PAOXCA12F13A1CA2CYP1A2 | |
| Spermidine SCHEMBL5615318 | 1.00 | PAOX (0.67) | PAOXCA12F13A1CA2CYP1A2 | |
| Spermine SCHEMBL7261475 | 0.98 | PAOX (0.69) | PAOXCA12F13A1CA2CYP1A2 | |
| Spermine SCHEMBL6422290 | 0.98 | PAOX (0.69) | PAOXCA12F13A1CA2CYP1A2 | |
| Spermine SCHEMBL625285 | 0.98 | PAOX (0.69) | PAOXCA12F13A1CA2CYP1A2 | |
| Spermine SCHEMBL866361 | 0.95 | PAOX (0.67) | PAOXCA12F13A1CA2CYP1A2 | |
| Acetic Acid SCHEMBL8379230 | 0.95 | PAOX (0.67) | PAOXCA12F13A1CA2CYP1A2 | |
| Spermidine SCHEMBL8143730 | 0.91 | PAOX (0.67) | PAOXCA12F13A1CA2CYP1A2 | |
| Spermidine SCHEMBL2076472 | 0.91 | PAOX (0.67) | PAOXCA12F13A1CA2CYP1A2 | |
| Acetic Acid SCHEMBL5551560 | 0.89 | PAOX (0.55) | PAOXCA12F13A1CA2CYP1A2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4505861-A | Methods and intermediates for the preparation of spermidine, homospermidine and norspermidine | UNIVERSITY OF FLORIDA (US) | 1985-03-19 | — | — | US | disclosed |