Known targets — ChEMBL curated mechanism
ACHEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3APH1AAPH1BCHRM2CHRM3EZH2GRIN2AHTR1AHTR1BHTR1DHTR1FHTR3ANCSTNP2RY12PSEN1PSEN2PSENENSIGMAR1SLC6A2SLC6A3SLC6A4
The experimentally established mechanism targets of Bromide. 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 | |
|---|---|---|---|---|
| ▸ | SIGMAR1 known ✓ | Q99720 | 1/20 | 0.35 |
| ▸ | CHRM2 known ✓ | P08172 | 1/20 | 0.33 |
| ▸ | ACHE known ✓ | P22303 | 1/20 | 0.33 |
| ▸ | F2 | P00734 | 1/20 | 0.34 |
| ▸ | PLG | P00747 | 1/20 | 0.34 |
| ▸ | ELANE | P08246 | 1/20 | 0.34 |
| ▸ | CTSG | P08311 | 1/20 | 0.34 |
| ▸ | CMA1 | P23946 | 1/20 | 0.34 |
| ▸ | CTRC | Q99895 | 1/20 | 0.34 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.33 |
| ▸ | EHMT2 | Q96KQ7 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | FUCA1 | P04066 | 2/20 | 0.33 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.33 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Bromide SCHEMBL27722888 | 0.79 | ACHE (0.40) | SIGMAR1F2PLGELANECTSG | |
| SCHEMBL27507721 | 0.78 | SIGMAR1 (0.38) | SIGMAR1F2PLGELANECTSG | |
| Bromide SCHEMBL29099283 | 0.77 | CYP19A1 (0.35) | SIGMAR1F2PLGELANECTSG | |
| SCHEMBL5610169 | 0.76 | SIGMAR1 (0.36) | SIGMAR1F2PLGELANECTSG | |
| SCHEMBL27515932 | 0.76 | ACHE (0.41) | SIGMAR1F2PLGELANECTSG | |
| SCHEMBL27526008 | 0.76 | CHRM2 (0.34) | SIGMAR1F2PLGELANECTSG | |
| SCHEMBL28656106 | 0.75 | CYP19A1 (0.36) | SIGMAR1F2PLGELANECTSG | |
| Hydrochloric Acid SCHEMBL28350609 | 0.75 | ACHE (0.40) | SIGMAR1F2PLGELANECTSG | |
| SCHEMBL9306536 | 0.74 | SIGMAR1 (0.34) | SIGMAR1F2PLGELANECTSG | |
| SCHEMBL30672032 | 0.72 | ALDH1A1 (0.40) | SIGMAR1F2PLGELANECTSG |
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-1100778-C | Pyrrolopyrimidines and process for their preparation | NOVARTIS CO (CH) | 2003-02-05 | — | — | CN | disclosed |
| CN-1194647-A | Pyrrolopyrimidines and processes for preparation thereof | NOVARTIS CO (CH) | 1998-09-30 | — | — | CN | disclosed |