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 | |
|---|---|---|---|---|
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.43 |
| ▸ | SIGMAR1 known ✓ | Q99720 | 1/20 | 0.42 |
| ▸ | HTR1A known ✓ | P08908 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 4/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.43 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.43 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.43 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.42 |
| ▸ | MBTD1 | Q05BQ5 | 1/20 | 0.42 |
| ▸ | L3MBTL3 | Q96JM7 | 1/20 | 0.42 |
| ▸ | MLLT1 | Q03111 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | DRD2 | P14416 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL9039113 | 0.99 | MEN1 (0.48) | MEN1KMT2ANPC1TP53RAB9A | |
| Hydrochloric Acid SCHEMBL9221658 | 0.98 | MEN1 (0.47) | MEN1KMT2ANPC1TP53RAB9A | |
| SCHEMBL8180687 | 0.98 | MEN1 (0.47) | MEN1KMT2ANPC1TP53RAB9A | |
| Hydrochloric Acid SCHEMBL6962238 | 0.96 | MEN1 (0.46) | MEN1KMT2ANPC1TP53RAB9A | |
| SCHEMBL6955084 | 0.92 | ALDH1A1 (0.48) | MEN1KMT2ANPC1TP53RAB9A | |
| SCHEMBL6968037 | 0.91 | ALDH1A1 (0.47) | MEN1KMT2ANPC1TP53RAB9A | |
| Bromide SCHEMBL8180586 | 0.88 | SMN1; SMN2 (0.57) | MEN1KMT2ANPC1TP53RAB9A | |
| Bromide SCHEMBL6961358 | 0.86 | SMN1; SMN2 (0.56) | MEN1KMT2ANPC1TP53RAB9A | |
| SCHEMBL6968837 | 0.86 | SMN1; SMN2 (0.58) | MEN1KMT2ANPC1TP53RAB9A | |
| SCHEMBL9039593 | 0.85 | SMN1; SMN2 (0.57) | MEN1KMT2ANPC1TP53RAB9A |
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 |
|---|---|---|---|---|---|---|---|
| EP-0713483-B1 | AMIDINE DERIVATIVES WITH NITRIC OXIDE SYNTHETASE ACTIVITIES | ASTRAZENECA AB (SE) | 2003-01-15 | — | — | EP | disclosed |
| US-6030985-A | Amidine derivatives with nitric oxide synthetase activities | ASTRA AKTIEBOLAG (SE) | 2000-02-29 | — | — | US | disclosed |
| US-5807885-A | Amidine derivatives with nitric oxide synthetase activities | ASTRA AKTIEBOLAG (SE) | 1998-09-15 | — | — | US | disclosed |