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 | |
|---|---|---|---|---|
| ▸ | GRIN2A known ✓ | Q12879 | 2/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.47 |
| ▸ | CA1 | P00915 | 1/20 | 0.47 |
| ▸ | CA3 | P07451 | 1/20 | 0.47 |
| ▸ | CA4 | P22748 | 1/20 | 0.47 |
| ▸ | CA6 | P23280 | 1/20 | 0.47 |
| ▸ | CA5A | P35218 | 1/20 | 0.47 |
| ▸ | CA7 | P43166 | 1/20 | 0.47 |
| ▸ | CA9 | Q16790 | 1/20 | 0.47 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.47 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.47 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.47 |
| ▸ | BRD4 | O60885 | 1/20 | 0.46 |
| ▸ | IDO1 | P14902 | 2/20 | 0.43 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.43 |
| ▸ | CDK2 | P24941 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL29371690 | 0.98 | CA12 (0.48) | CA12CA1CA3CA4CA6 | |
| SCHEMBL28015378 | 0.98 | CA12 (0.48) | CA12CA1CA3CA4CA6 | |
| SCHEMBL10417 | 0.98 | CA12 (0.48) | CA12CA1CA3CA4CA6 | |
| Phosphine SCHEMBL29179322 | 0.96 | CA12 (0.47) | CA12CA1CA3CA4CA6 | |
| SCHEMBL29570997 | 0.96 | CA12 (0.47) | CA12CA1CA3CA4CA6 | |
| Benzene SCHEMBL29025391 | 0.96 | CA12 (0.47) | CA12CA1CA3CA4CA6 | |
| SCHEMBL31540593 | 0.96 | CA12 (0.47) | CA12CA1CA3CA4CA6 | |
| Hydrochloric Acid SCHEMBL10501322 | 0.96 | CA12 (0.47) | CA12CA1CA3CA4CA6 | |
| SCHEMBL21358065 | 0.96 | CA12 (0.47) | CA12CA1CA3CA4CA6 | |
| Ammonia Solution, Strong SCHEMBL28596498 | 0.96 | CA12 (0.47) | CA12CA1CA3CA4CA6 |
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-111699176-A | Quinazolinones as PARP14 inhibitors | 里邦医疗公司 | 2020-09-22 | — | — | CN | disclosed |
| WO-2007060691-A2 | A NOVEL PROCESS FOR THE PREPARATION OF ERLOTINIB | NATCO PHARMA LIMITED (IN) | 2007-05-31 | — | — | WO | disclosed |