Known targets — ChEMBL curated mechanism
ACHEBDKRB2CHRM1CHRM2CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNGGUCY1A1GUCY1A2GUCY1B1GUCY1B2NAMPTPTAFRSLC10A2SLC6A2SLC6A3TACR1dacAdacBdacCftsImrcAmrcBmrdA
The experimentally established mechanism targets of Metralindole. 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 | |
|---|---|---|---|---|
| ▸ | ACHE known ✓ | P22303 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 8/20 | 0.93 |
| ▸ | HSD17B10 | Q99714 | 6/20 | 0.93 |
| ▸ | HPGD | P15428 | 4/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.44 |
| ▸ | HTR6 | P50406 | 6/20 | 0.41 |
| ▸ | HRH1 | P35367 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 4/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | MAOA | P21397 | 2/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 1/20 | 0.41 |
| ▸ | CASP1 | P29466 | 3/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.39 |
| ▸ | HTR2A | P28223 | 2/20 | 0.39 |
| ▸ | HTR2C | P28335 | 2/20 | 0.39 |
| ▸ | HTR7 | P34969 | 2/20 | 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 | |
|---|---|---|---|---|
| Metralindole SCHEMBL29414121 | 0.98 | KDM4E (0.98) | KDM4EHSD17B10HPGDHIF1AHTR6 | |
| Metralindole SCHEMBL49688 | 0.98 | KDM4E (0.98) | KDM4EHSD17B10HPGDHIF1AHTR6 | |
| Metralindole SCHEMBL3130721 | 0.96 | KDM4E (1.00) | KDM4EHSD17B10HPGDHIF1AHTR6 | |
| Metralindole SCHEMBL28860324 | 0.76 | KDM4E (0.59) | KDM4EHSD17B10MEN1KMT2AALDH1A1 | |
| SCHEMBL11205818 | 0.72 | KDM4E (0.70) | KDM4EHSD17B10HPGDHIF1AHTR6 | |
| Hydrochloric Acid SCHEMBL11234309 | 0.71 | KDM4E (0.72) | KDM4EHSD17B10HPGDHIF1AHTR6 | |
| SCHEMBL29521380 | 0.66 | HTR6 (0.51) | KDM4EHSD17B10HIF1AHTR6MEN1 | |
| SCHEMBL13219185 | 0.65 | HSD17B10 (0.46) | KDM4EHSD17B10HPGDHTR6HRH1 | |
| SCHEMBL4056262 | 0.65 | KDM4E (0.49) | KDM4EHSD17B10HPGDHIF1AMEN1 | |
| SCHEMBL1987583 | 0.64 | HSD17B10 (0.45) | KDM4EHSD17B10HPGDHTR6HRH1 |
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 |