Known targets — ChEMBL curated mechanism
ACHEBDKRB2CHRM1CHRM2CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNGGUCY1A1GUCY1A2GUCY1B1GUCY1B2NAMPTPTAFRSLC10A2SLC6A2SLC6A3TACR1dacAdacBdacCftsImrcAmrcBmrdA
The experimentally established mechanism targets of Budralazine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 14/20 | 0.58 |
| ▸ | RAB9A | P51151 | 12/20 | 0.58 |
| ▸ | KMT2A | Q03164 | 9/20 | 0.56 |
| ▸ | MEN1 | O00255 | 8/20 | 0.56 |
| ▸ | GAA | P10253 | 4/20 | 0.56 |
| ▸ | MPO | P05164 | 4/20 | 0.54 |
| ▸ | MAPT | P10636 | 3/20 | 0.54 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.54 |
| ▸ | EGFR | P00533 | 3/20 | 0.52 |
| ▸ | KDR | P35968 | 3/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.51 |
| ▸ | TP53 | P04637 | 2/20 | 0.51 |
| ▸ | PKM | P14618 | 1/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.51 |
| ▸ | POLB | P06746 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| Budralazine SCHEMBL49541 | 0.97 | NPC1 (0.61) | NPC1RAB9AKMT2AMEN1GAA | |
| Budralazine SCHEMBL3499913 | 0.97 | NPC1 (0.61) | NPC1RAB9AKMT2AMEN1GAA | |
| Budralazine SCHEMBL3499915 | 0.97 | NPC1 (0.61) | NPC1RAB9AKMT2AMEN1GAA | |
| SCHEMBL13286648 | 0.82 | NPC1 (0.68) | NPC1RAB9AKMT2AMEN1GAA | |
| SCHEMBL13286661 | 0.77 | RAB9A (0.82) | NPC1RAB9AKMT2AMEN1GAA | |
| SCHEMBL13286718 | 0.77 | NPC1 (0.64) | NPC1RAB9AKMT2AMEN1GAA | |
| SCHEMBL13286654 | 0.77 | NPC1 (0.62) | NPC1RAB9AKMT2AMEN1GAA | |
| SCHEMBL13286707 | 0.77 | NPC1 (0.62) | NPC1RAB9AKMT2AMEN1GAA | |
| SCHEMBL13286655 | 0.76 | NPC1 (0.61) | NPC1RAB9AKMT2AMEN1GAA | |
| SCHEMBL13286723 | 0.75 | NPC1 (0.60) | NPC1RAB9AKMT2AMEN1GAA |
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 |