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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.48 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.45 |
| ▸ | CYP19A1 | P11511 | 5/20 | 0.43 |
| ▸ | POLB | P06746 | 3/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | RECQL | P46063 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | KCNA5 | P22460 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.37 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | ALPL | P05186 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL10956220 | 0.98 | ALDH1A1 (0.49) | ALDH1A1NPSR1TRPV1CYP19A1POLB | |
| Bromide SCHEMBL10923256 | 0.84 | CYP19A1 (0.46) | CYP19A1LMNAMEN1KMT2AKCNA5 | |
| SCHEMBL10922195 | 0.82 | CYP19A1 (0.47) | CYP19A1LMNAKCNA5CYP1A2CYP3A4 | |
| Bromide SCHEMBL6282386 | 0.79 | RAB9A (0.45) | ALDH1A1CYP19A1POLBKMT2ANPC1 | |
| SCHEMBL10952238 | 0.78 | RAB9A (0.46) | ALDH1A1CYP19A1POLBKMT2ANPC1 | |
| SCHEMBL27900809 | 0.74 | CYP19A1 (0.53) | CYP19A1LMNANPC1RAB9ACYP1A2 | |
| Bromide SCHEMBL8076682 | 0.73 | CYP11B1 (0.48) | ALDH1A1CYP19A1LMNASMN1; SMN2CYP1A2 | |
| SCHEMBL6988060 | 0.72 | CYP3A4 (0.41) | ALDH1A1CYP19A1LMNAKCNA5CYP1A2 | |
| SCHEMBL29700962 | 0.72 | CYP19A1 (0.55) | CYP19A1LMNANPC1RAB9ACYP1A2 | |
| SCHEMBL8606938 | 0.72 | CYP19A1 (0.55) | CYP19A1LMNANPC1RAB9ACYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1027050-A2 | ADENOSINE A3 RECEPTOR ANTAGONISTS | Takeda Chemical Industries, Ltd. (JP) | 2000-08-16 | — | — | EP | disclosed |
| WO-1999021555-A2 | ADENOSINE A3 RECEPTOR ANTAGONISTS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1999-05-06 | — | — | WO | disclosed |