Known targets — ChEMBL curated mechanism
ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol
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 | |
|---|---|---|---|---|
| ▸ | MAOB known ✓ | P27338 | 1/20 | 0.44 |
| ▸ | CA12 | O43570 | 2/20 | 0.58 |
| ▸ | F13A1 | P00488 | 2/20 | 0.58 |
| ▸ | CA2 | P00918 | 2/20 | 0.58 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.58 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.58 |
| ▸ | CA4 | P22748 | 2/20 | 0.58 |
| ▸ | CA6 | P23280 | 2/20 | 0.58 |
| ▸ | CA5A | P35218 | 2/20 | 0.58 |
| ▸ | THPO | P40225 | 2/20 | 0.58 |
| ▸ | CA7 | P43166 | 2/20 | 0.58 |
| ▸ | CA9 | Q16790 | 2/20 | 0.58 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.58 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.58 |
| ▸ | CA1 | P00915 | 1/20 | 0.58 |
| ▸ | CA3 | P07451 | 1/20 | 0.58 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.58 |
| ▸ | PKM | P14618 | 1/20 | 0.58 |
| ▸ | TSHR | P16473 | 1/20 | 0.58 |
| ▸ | MTOR | P42345 | 1/20 | 0.58 |
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 SCHEMBL30480269 | 0.87 | CA12 (0.78) | CA12F13A1CA2CYP1A2ALOX15 | |
| Spermine SCHEMBL564391 | 0.84 | CA12 (0.77) | CA12F13A1CA2CYP1A2ALOX15 | |
| SCHEMBL30218642 | 0.82 | CA12 (0.43) | CA12F13A1CA2CYP1A2ALOX15 | |
| Spermine SCHEMBL10921247 | 0.82 | CA12 (0.72) | CA12F13A1CA2CYP1A2ALOX15 | |
| SCHEMBL5551059 | 0.81 | CA12 (0.54) | CA12F13A1CA2CYP1A2ALOX15 | |
| SCHEMBL31657039 | 0.77 | PAOX (0.54) | CA12CA2CA4CA6CA5A | |
| SCHEMBL31657041 | 0.77 | PAOX (0.54) | CA12CA2CA4CA6CA5A | |
| SCHEMBL31656963 | 0.77 | PAOX (0.54) | CA12CA2CA4CA6CA5A | |
| Diaminooctane SCHEMBL31656980 | 0.77 | PAOX (0.54) | CA12CA2CA4CA6CA5A | |
| Diaminooctane SCHEMBL31657017 | 0.77 | PAOX (0.54) | CA12CA2CA4CA6CA5A |
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 |
|---|---|---|---|---|---|---|---|
| CN-115551871-A | Crystalline forms of squalamine | 因特尔公司 | 2022-12-30 | — | — | CN | disclosed |