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 | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 3/20 | 0.52 |
| ▸ | CA2 | P00918 | 3/20 | 0.52 |
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
| ▸ | TP53 | P04637 | 1/20 | 0.50 |
| ▸ | CA12 | O43570 | 2/20 | 0.47 |
| ▸ | CA4 | P22748 | 2/20 | 0.47 |
| ▸ | CA6 | P23280 | 2/20 | 0.47 |
| ▸ | CA7 | P43166 | 2/20 | 0.47 |
| ▸ | CA9 | Q16790 | 2/20 | 0.47 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.47 |
| ▸ | TPMT | P51580 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | SRD5A2 | P31213 | 3/20 | 0.44 |
| ▸ | HTT | P42858 | 2/20 | 0.44 |
| ▸ | ANPEP | P15144 | 1/20 | 0.44 |
| ▸ | RXRA | P19793 | 2/20 | 0.44 |
| ▸ | RXRB | P28702 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL3876089 | 0.98 | CA1 (0.54) | CA1CA2TSHRTP53CA12 | |
| SCHEMBL6715937 | 0.92 | RXRA (0.53) | CA1CA2TSHRTP53CA12 | |
| SCHEMBL14714654 | 0.87 | RARB (0.53) | CA1CA2TSHRTP53CA12 | |
| SCHEMBL792181 | 0.81 | CA1 (0.54) | CA1CA2TSHRTP53CA12 | |
| SCHEMBL6924039 | 0.81 | MAPT (0.50) | KMT2AALDH1A1SMN1; SMN2LMNAMAPK1 | |
| SCHEMBL14829371 | 0.79 | PARP10 (0.55) | CA1CA2TSHRKMT2AALDH1A1 | |
| SCHEMBL5639207 | 0.79 | CA1 (0.57) | CA1CA2TSHRCA12CA7 | |
| SCHEMBL10487158 | 0.79 | HPGD (0.39) | CA1CA2TSHRCA12CA4 | |
| SCHEMBL6467238 | 0.79 | CA1 (0.52) | CA1CA2TSHRTP53CA12 | |
| SCHEMBL27566996 | 0.78 | SRD5A2 (0.59) | CA1CA2TSHRKMT2AALDH1A1 |
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-4801699-A | COATINGS, ADHESIVES, WET STRENGTH AGENTS IN PAPERMAKING | NATIONAL STARCH AND CHEMICAL CORPORATION (US) | 1989-01-31 | — | — | US | disclosed |
| US-4749800-A | DIALKOXYPROPIONYL QUANIDINE | NATIONAL STARCH AND CHEMICAL CORPORATION (US) | 1988-06-07 | — | — | US | disclosed |