Known targets — ChEMBL curated mechanism
ADORA1ADORA2AADORA2BADORA3PDE3APDE3BPDE4APDE4BPDE4CPDE4D
The experimentally established mechanism targets of Bamifylline. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 10/20 | 0.44 |
| ▸ | LMNA | P02545 | 7/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 5/20 | 0.44 |
| ▸ | HTT | P42858 | 3/20 | 0.44 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.42 |
| ▸ | JAK2 | O60674 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 3/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | GLA | P06280 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | CASP1 | P29466 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | PCSK9 | Q8NBP7 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| Bamifylline SCHEMBL219043 | 0.85 | RXFP1 (0.60) | TSHRLMNANPSR1HTTRXFP1 | |
| Bamifylline SCHEMBL637064 | 0.84 | RXFP1 (0.58) | TSHRLMNANPSR1HTTRXFP1 | |
| Bamifylline SCHEMBL1648640 | 0.83 | RXFP1 (0.57) | TSHRLMNANPSR1HTTRXFP1 | |
| Bamifylline SCHEMBL28086377 | 0.80 | TSHR (0.53) | TSHRLMNANPSR1HTTRXFP1 | |
| Bamifylline SCHEMBL27460692 | 0.79 | RXFP1 (0.53) | TSHRLMNANPSR1HTTRXFP1 | |
| SCHEMBL684310 | 0.79 | RXFP1 (0.66) | TSHRLMNANPSR1HTTRXFP1 | |
| SCHEMBL19829270 | 0.78 | TSHR (0.64) | TSHRLMNANPSR1HTTRXFP1 | |
| Bamifylline SCHEMBL20522800 | 0.72 | USP2 (0.46) | TSHRLMNANPSR1HTTRXFP1 | |
| SCHEMBL1334308 | 0.71 | ADORA1 (0.57) | TSHRLMNANPSR1HTTSMN1; SMN2 | |
| SCHEMBL7170489 | 0.70 | RXFP1 (0.57) | TSHRLMNANPSR1HTTRXFP1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-103717597-B | Heterocyclic compounds as kinase inhibitors | 原真股份有限公司 | 2017-07-04 | — | — | CN | disclosed |
| CN-103492389-B | Pyrazolo [4,3-d] pyrimidine as inhibitors of kinases | 原真股份有限公司 | 2016-09-14 | — | — | CN | disclosed |