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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.44 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 4/20 | 0.43 |
| ▸ | GALR3 | O60755 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.41 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | NOX4 | Q9NPH5 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL483697 | 0.98 | ALDH1A1 (0.49) | ALDH1A1SMN1; SMN2MAPTCYP19A1ESR2 | |
| SCHEMBL30496165 | 0.98 | ALDH1A1 (0.49) | ALDH1A1SMN1; SMN2MAPTCYP19A1ESR2 | |
| Fluoride SCHEMBL27645948 | 0.95 | ALDH1A1 (0.47) | ALDH1A1SMN1; SMN2MAPTCYP19A1ESR2 | |
| SCHEMBL7667378 | 0.81 | ESR2 (0.53) | ALDH1A1SMN1; SMN2MAPTCYP19A1ESR2 | |
| SCHEMBL536176 | 0.80 | FFAR1 (0.44) | ALDH1A1SMN1; SMN2MAPTCYP19A1ESR2 | |
| SCHEMBL30129807 | 0.80 | FFAR1 (0.44) | ALDH1A1SMN1; SMN2MAPTCYP19A1ESR2 | |
| Bromide SCHEMBL1841105 | 0.79 | CYP19A1 (0.46) | ALDH1A1SMN1; SMN2MAPTCYP19A1ESR2 | |
| SCHEMBL1378624 | 0.78 | CA1 (0.41) | ALDH1A1SMN1; SMN2MAPTCYP19A1ESR2 | |
| SCHEMBL28215006 | 0.78 | S1PR1 (0.40) | ALDH1A1SMN1; SMN2MAPTCYP19A1ESR2 | |
| SCHEMBL2153612 | 0.78 | CYP19A1 (0.48) | ALDH1A1SMN1; SMN2MAPTCYP19A1ESR2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008059514-A2 | PROCESS FOR PREPARING ESCITALOPRAM | CADILA HEALTHCARE LIMITED (IN) | 2008-05-22 | — | — | WO | claimed |
| WO-2008059514-A2 | PROCESS FOR PREPARING ESCITALOPRAM | CADILA HEALTHCARE LIMITED (IN) | 2008-05-22 | — | — | WO | disclosed |