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 | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 1/20 | 0.46 |
| ▸ | TUBB4A | P04350 | 4/20 | 0.44 |
| ▸ | TUBB | P07437 | 4/20 | 0.44 |
| ▸ | TUBA3C | P0DPH7 | 4/20 | 0.44 |
| ▸ | TUBA1B | P68363 | 4/20 | 0.44 |
| ▸ | TUBA4A | P68366 | 4/20 | 0.44 |
| ▸ | TUBB4B | P68371 | 4/20 | 0.44 |
| ▸ | TUBB3 | Q13509 | 4/20 | 0.44 |
| ▸ | TUBB2A | Q13885 | 4/20 | 0.44 |
| ▸ | TUBB8 | Q3ZCM7 | 4/20 | 0.44 |
| ▸ | TUBA3E | Q6PEY2 | 4/20 | 0.44 |
| ▸ | TUBA1A | Q71U36 | 4/20 | 0.44 |
| ▸ | TUBA1C | Q9BQE3 | 4/20 | 0.44 |
| ▸ | TUBB6 | Q9BUF5 | 4/20 | 0.44 |
| ▸ | TUBB2B | Q9BVA1 | 4/20 | 0.44 |
| ▸ | TUBB1 | Q9H4B7 | 4/20 | 0.44 |
| ▸ | ABCB1 | P08183 | 3/20 | 0.42 |
| ▸ | HTR2A | P28223 | 1/20 | 0.42 |
| ▸ | HTR2C | P28335 | 1/20 | 0.42 |
| ▸ | HTR2B | P41595 | 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 | |
|---|---|---|---|---|
| SCHEMBL21980854 | 0.98 | PTGS2 (0.47) | PTGS2TUBB4ATUBBTUBA3CTUBA1B | |
| SCHEMBL6130199 | 0.83 | TUBB4A (0.52) | PTGS2TUBB4ATUBBTUBA3CTUBA1B | |
| SCHEMBL722969 | 0.80 | PTGS2 (0.67) | PTGS2TUBB4ATUBBTUBA3CTUBA1B | |
| SCHEMBL11175226 | 0.80 | TSHR (0.49) | ABCB1CYP19A1ALDH1A1 | |
| Phosphine SCHEMBL9707943 | 0.78 | PTGS2 (0.64) | PTGS2TUBB4ATUBBTUBA3CTUBA1B | |
| Bromide SCHEMBL31267004 | 0.78 | ABCB1 (0.44) | PTGS2TUBB4ATUBBTUBA3CTUBA1B | |
| SCHEMBL27698793 | 0.77 | PTGS2 (0.46) | PTGS2TUBB4ATUBBTUBA3CTUBA1B | |
| SCHEMBL12770651 | 0.77 | PTGS2 (0.48) | PTGS2TUBB4ATUBBTUBA3CTUBA1B | |
| SCHEMBL2880981 | 0.76 | ABCB1 (0.47) | ABCB1KDM4EALDH1A1LMNASMN1; SMN2 | |
| SCHEMBL29143294 | 0.75 | TUBB4A (0.45) | PTGS2TUBB4ATUBBTUBA3CTUBA1B |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107311846-B | Gem difluoroethyl substituted stilbene and diphenylethane derivatives, and preparation method and application thereof | 上海华理生物医药股份有限公司 | 2022-05-13 | — | — | CN | claimed |
| CN-107311846-B | Gem difluoroethyl substituted stilbene and diphenylethane derivatives, and preparation method and application thereof | 上海华理生物医药股份有限公司 | 2022-05-13 | — | — | CN | disclosed |
| CN-107382796-B | CA-4 antineoplastic medicine, synthetic method and application thereof | 浙江华理生物制药有限公司 | 2020-10-09 | — | — | CN | disclosed |