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 | |
|---|---|---|---|---|
| ▸ | ADRB2 known ✓ | P07550 | 1/20 | 0.56 |
| ▸ | CHRM2 known ✓ | P08172 | 1/20 | 0.44 |
| ▸ | SLC6A3 known ✓ | Q01959 | 5/20 | 0.42 |
| ▸ | SLC6A2 known ✓ | P23975 | 4/20 | 0.42 |
| ▸ | SLC6A4 known ✓ | P31645 | 3/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.58 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.56 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| Bromide SCHEMBL9763944 | 1.00 | TSHR (0.58) | TSHRNPSR1ADRB2GAAHTT | |
| SCHEMBL1007926 | 0.98 | TSHR (0.59) | TSHRNPSR1ADRB2GAAHTT | |
| SCHEMBL1007435 | 0.98 | TSHR (0.59) | TSHRNPSR1ADRB2GAAHTT | |
| SCHEMBL1007437 | 0.98 | TSHR (0.59) | TSHRNPSR1ADRB2GAAHTT | |
| SCHEMBL7437442 | 0.84 | TSHR (0.45) | TSHRNPSR1ADRB2HTTLMNA | |
| SCHEMBL15081899 | 0.83 | GAA (0.70) | TSHRNPSR1ADRB2GAAHTT | |
| SCHEMBL9222634 | 0.83 | TSHR (0.61) | TSHRNPSR1ADRB2GAAHTT | |
| SCHEMBL12635268 | 0.83 | TSHR (0.61) | TSHRNPSR1ADRB2GAAHTT | |
| SCHEMBL4777610 | 0.83 | GAA (0.51) | TSHRNPSR1ADRB2GAAHTT | |
| SCHEMBL7278715 | 0.83 | OPRD1 (0.50) | TSHRNPSR1ADRB2HTTCHRM2 |
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 |
|---|---|---|---|---|---|---|---|
| US-4994462-A | N,N-Bis(nipecotyl)piperazines | RESEARCH CORPORATION (US) | 1991-02-19 | — | — | US | disclosed |
| US-4798830-A | TETRAHYDROQUINOLINE DERIVATIVES | RESEARCH CORPORATION (US) | 1989-01-17 | — | — | US | disclosed |
| US-4634709-A | PIPERIDINE DERIVATIVES | RESEARCH CORPORATION (US) | 1987-01-06 | — | — | US | disclosed |
| US-4443450-A | N,N*-BIS(NIPECOTYL) PIPERAZINE | RESEARCH CORPORATION (US) | 1984-04-17 | — | — | US | disclosed |