Known targets — ChEMBL curated mechanism
CHRM1CHRM2CHRM3CHRM4CHRM5SLC6A2dacAdacBdacCftsImrcAmrcBmrdA
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TERT | O14746 | 6/20 | 0.73 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.40 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.32 |
| ▸ | TOP1 | P11387 | 3/20 | 0.32 |
| ▸ | CYCS | P99999 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL3458767 | 0.91 | TERT (0.59) | TERTENPP2ABCG2TOP1CYCS | |
| Hydrochloric Acid SCHEMBL3459214 | 0.86 | TERT (0.61) | TERTENPP2TOP1CYCS | |
| Tmpyp4 SCHEMBL8153900 | 0.86 | TERT (1.00) | TERTENPP2ABCG2TOP1CYCS | |
| Tmpyp4 SCHEMBL30632001 | 0.86 | TERT (1.00) | TERTENPP2ABCG2TOP1CYCS | |
| Tmpyp4 SCHEMBL6045450 | 0.84 | TERT (0.98) | TERTENPP2ABCG2TOP1CYCS | |
| SCHEMBL3458769 | 0.83 | TERT (0.50) | TERTENPP2ABCG2TOP1CYCS | |
| SCHEMBL13183879 | 0.80 | TERT (0.56) | TERTENPP2TOP1CYCS | |
| Hydrochloric Acid SCHEMBL15162760 | 0.79 | TERT (0.55) | TERTENPP2TOP1CYCS | |
| Hydrochloric Acid SCHEMBL3459974 | 0.78 | TERT (0.53) | TERTENPP2TOP1CYCS | |
| Hydrochloric Acid SCHEMBL3459971 | 0.78 | TERT (0.53) | TERTENPP2TOP1CYCS |
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 |
|---|---|---|---|---|---|---|---|
| EP-2230242-B1 | Synthesis of new asymmetrically meso-substituted water-soluble porphyrins acting as cytostatic agents | JOHANNES KEPLER UNI (AT) | 2013-08-14 | — | — | EP | disclosed |
| EP-2230242-A1 | Synthesis of new asymmetrically meso-substituted water-soluble porphyrins acting as cytostatic agents | Johannes Kepler Universität (AT) | 2010-09-22 | — | — | EP | disclosed |