Known targets — ChEMBL curated mechanism
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
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 | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 3/20 | 0.65 |
| ▸ | CA2 | P00918 | 3/20 | 0.65 |
| ▸ | CA4 | P22748 | 3/20 | 0.65 |
| ▸ | CA6 | P23280 | 3/20 | 0.65 |
| ▸ | CA5A | P35218 | 3/20 | 0.65 |
| ▸ | CA7 | P43166 | 3/20 | 0.65 |
| ▸ | CA9 | Q16790 | 3/20 | 0.65 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.65 |
| ▸ | CA5B | Q9Y2D0 | 3/20 | 0.65 |
| ▸ | F13A1 | P00488 | 2/20 | 0.65 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.65 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.65 |
| ▸ | THPO | P40225 | 2/20 | 0.65 |
| ▸ | CASP2 | P42575 | 2/20 | 0.65 |
| ▸ | MEN1 | O00255 | 1/20 | 0.65 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.65 |
| ▸ | RECQL | P46063 | 1/20 | 0.65 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.65 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.65 |
| ▸ | CA3 | P07451 | 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 | |
|---|---|---|---|---|
| Spermidine SCHEMBL343200 | 0.98 | CA12 (0.67) | CA12CA2CA4CA6CA5A | |
| Spermidine SCHEMBL28472688 | 0.98 | CA12 (0.67) | CA12CA2CA4CA6CA5A | |
| Spermine SCHEMBL867751 | 0.97 | CA12 (0.68) | CA12CA2CA4CA6CA5A | |
| Spermine SCHEMBL2058654 | 0.97 | CA12 (0.68) | CA12CA2CA4CA6CA5A | |
| Spermidine SCHEMBL867617 | 0.95 | CA12 (0.70) | CA12CA2CA4CA6CA5A | |
| Phosphoric Acid SCHEMBL15512587 | 0.90 | CA12 (0.62) | CA12CA2CA4CA6CA5A | |
| Phosphoric Acid SCHEMBL5552800 | 0.84 | CA12 (0.54) | CA12CA2CA4CA6CA5A | |
| Wr-1065 SCHEMBL1821959 | 0.84 | ESR1 (0.74) | CA12CA2CA4CA6CA5A | |
| Phosphoric Acid SCHEMBL5551700 | 0.84 | CA12 (0.54) | CA12CA2CA4CA6CA5A | |
| Spermine SCHEMBL867750 | 0.84 | CA12 (0.56) | 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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012007531-A2 | METHODS AND COMPOSITIONS FOR DIAGNOSING MEDICAL CONDITIONS | MADEO FRANK (AT) | 2012-01-19 | — | — | WO | claimed |
| US-20190285611-A1 | GENDER AND RACE IDENTIFICATION FROM BODY FLUID TRACES USING SPECTROSCOPIC ANALYSIS | THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK | 2019-09-19 | — | — | US | disclosed |
| WO-2017019988-A1 | GENDER AND RACE IDENTIFICATION FROM BODY FLUID TRACES USING SPECTROSCOPIC ANALYSIS | THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) | 2017-02-02 | — | — | WO | disclosed |
| WO-2012007531-A2 | METHODS AND COMPOSITIONS FOR DIAGNOSING MEDICAL CONDITIONS | MADEO FRANK (AT) | 2012-01-19 | — | — | WO | disclosed |