Known targets — ChEMBL curated mechanism
ACHEBDKRB2CHRM1CHRM2CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNGGUCY1A1GUCY1A2GUCY1B1GUCY1B2NAMPTPTAFRSLC10A2SLC6A2SLC6A3TACR1dacAdacBdacCftsImrcAmrcBmrdA
The experimentally established mechanism targets of Bamipine. 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 | |
|---|---|---|---|---|
| ▸ | SLC6A2 known ✓ | P23975 | 2/20 | 0.63 |
| ▸ | SLC6A3 known ✓ | Q01959 | 2/20 | 0.63 |
| ▸ | CHRM1 known ✓ | P11229 | 2/20 | 0.63 |
| ▸ | CHRM2 known ✓ | P08172 | 1/20 | 0.63 |
| ▸ | CHRM3 known ✓ | P20309 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.63 |
| ▸ | DRD3 | P35462 | 3/20 | 0.63 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.63 |
| ▸ | HTR1A | P08908 | 1/20 | 0.63 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.63 |
| ▸ | DRD1 | P21728 | 1/20 | 0.63 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.63 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.63 |
| ▸ | DRD2 | P14416 | 3/20 | 0.55 |
| ▸ | PGR | P06401 | 2/20 | 0.51 |
| ▸ | CCR5 | P51681 | 3/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| Bamipine SCHEMBL29626 | 0.97 | KCNH2 (0.66) | KCNH2DRD3SLC6A2SLC6A4SLC6A3 | |
| Bamipine SCHEMBL4424873 | 0.95 | KCNH2 (0.64) | KCNH2DRD3SLC6A2SLC6A4SLC6A3 | |
| Bamipine SCHEMBL3217102 | 0.90 | OPRM1 (0.59) | KCNH2DRD3SLC6A2SLC6A4SLC6A3 | |
| Bamipine SCHEMBL443443 | 0.86 | KCNH2 (0.55) | KCNH2DRD3SLC6A2SLC6A4SLC6A3 | |
| Bamipine SCHEMBL2968324 | 0.85 | KCNH2 (0.54) | KCNH2DRD3SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL3542065 | 0.85 | KCNH2 (0.56) | KCNH2DRD3SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL27703455 | 0.83 | SLC6A2 (0.54) | KCNH2DRD3SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL12730900 | 0.79 | KMT2A (0.58) | KCNH2DRD3SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL4492889 | 0.79 | OPRD1 (0.61) | OPRM1 | |
| SCHEMBL10108805 | 0.79 | SLC6A2 (0.49) | KCNH2DRD3SLC6A2SLC6A4SLC6A3 |
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 |