Known targets — ChEMBL curated mechanism
ACHEBDKRB2CHRM1CHRM2CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNGGUCY1A1GUCY1A2GUCY1B1GUCY1B2NAMPTPTAFRSLC10A2SLC6A2SLC6A3TACR1dacAdacBdacCftsImrcAmrcBmrdA
The experimentally established mechanism targets of Cetraxate. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | F2 | P00734 | 1/20 | 0.95 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | ELANE | P08246 | 2/20 | 0.44 |
| ▸ | FFAR1 | O14842 | 11/20 | 0.43 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.43 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | FFAR4 | Q5NUL3 | 2/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | PLG | P00747 | 1/20 | 0.40 |
| ▸ | PLAT | P00750 | 1/20 | 0.40 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| Cetraxate SCHEMBL7616457 | 0.97 | F2 (1.00) | F2HTTKMT2ASMN1; SMN2TDP1 | |
| Cetraxate SCHEMBL19437 | 0.97 | F2 (1.00) | F2HTTKMT2ASMN1; SMN2TDP1 | |
| Cetraxate SCHEMBL476429 | 0.97 | F2 (1.00) | F2HTTKMT2ASMN1; SMN2TDP1 | |
| Cetraxate SCHEMBL20774010 | 0.97 | F2 (1.00) | F2HTTKMT2ASMN1; SMN2TDP1 | |
| Cetraxate SCHEMBL11215307 | 0.96 | F2 (0.97) | F2HTTKMT2ASMN1; SMN2TDP1 | |
| Cetraxate SCHEMBL11215310 | 0.96 | F2 (0.97) | F2HTTKMT2ASMN1; SMN2TDP1 | |
| Cetraxate SCHEMBL10789557 | 0.96 | F2 (0.97) | F2HTTKMT2ASMN1; SMN2TDP1 | |
| Cetraxate SCHEMBL144286 | 0.96 | F2 (0.97) | F2HTTKMT2ASMN1; SMN2TDP1 | |
| Cetraxate SCHEMBL4639111 | 0.96 | F2 (0.97) | F2HTTKMT2ASMN1; SMN2TDP1 | |
| Cetraxate SCHEMBL144285 | 0.96 | F2 (0.97) | F2HTTKMT2ASMN1; SMN2TDP1 |
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-7927613-B2 | Pharmaceutical co-crystal compositions | UNIVERSITY OF SOUTH FLORIDA (US) | 2011-04-19 | — | — | US | disclosed |
| US-7790905-B2 | Pharmaceutical propylene glycol solvate compositions | MCNEIL-PPC, INC. (US) | 2010-09-07 | — | — | US | disclosed |