Known targets — ChEMBL curated mechanism
ACHECHRM1CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNG
The experimentally established mechanism targets of Bromobenzene. 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 | |
|---|---|---|---|---|
| ▸ | TRIM24 | O15164 | 2/20 | 0.53 |
| ▸ | TRIM33 | Q9UPN9 | 2/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | BLM | P54132 | 1/20 | 0.39 |
| ▸ | ERN1 | O75460 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.35 |
| ▸ | IDO1 | P14902 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 2/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| Iodide SCHEMBL27800728 | 0.88 | TRIM24 (0.55) | TRIM24TRIM33ALDH1A1TSHRKMT2A | |
| SCHEMBL29948333 | 0.86 | — | — | |
| SCHEMBL312449 | 0.86 | — | — | |
| Bromide SCHEMBL27551706 | 0.84 | TRIM24 (0.55) | TRIM24TRIM33ALDH1A1TSHRKMT2A | |
| Bromobenzene SCHEMBL27858359 | 0.74 | TDP1 (0.52) | TRIM24TRIM33ALDH1A1TSHRKMT2A | |
| SCHEMBL29896681 | 0.70 | — | — | |
| SCHEMBL312205 | 0.70 | — | — | |
| SCHEMBL11437932 | 0.69 | TRIM24 (0.56) | TRIM24TRIM33ALDH1A1KMT2ATDP1 | |
| SCHEMBL29094920 | 0.68 | KDM4E (0.49) | ALDH1A1TSHRKMT2AMEN1KDM4E | |
| SCHEMBL6631270 | 0.68 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103553935-A | Organic electroluminescent device | HODOGAYA CHEMICAL CO LTD | 2014-02-05 | — | — | CN | disclosed |
| CN-101663300-B | Compound wherein substituted bipyridyl group is connected with pyridoindole ring structure through phenylene group, and organic electroluminescent device | HODOGAYA CHEMICAL CO LTD | 2013-11-06 | — | — | CN | disclosed |
| CN-102027613-A | Organic electroluminescent device | HODOGAYA CHEMICAL CO LTD | 2011-04-20 | — | — | CN | disclosed |
| CN-101663300-A | Compound wherein substituted bipyridyl group is connected with pyridoindole ring structure through phenylene group, and organic electroluminescent device | HODOGAYA CHEMICAL CO LTD | 2010-03-03 | — | — | CN | disclosed |