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 | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.56 |
| ▸ | RAB9A | P51151 | 3/20 | 0.56 |
| ▸ | NPC1 | O15118 | 2/20 | 0.56 |
| ▸ | TP53 | P04637 | 1/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.51 |
| ▸ | MLLT1 | Q03111 | 1/20 | 0.50 |
| ▸ | GAA | P10253 | 3/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.46 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | TNIK | Q9UKE5 | 1/20 | 0.46 |
| ▸ | CCR2 | P41597 | 1/20 | 0.46 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL9039593 | 0.99 | SMN1; SMN2 (0.57) | SMN1; SMN2RAB9ANPC1TP53KDM4E | |
| Bromide SCHEMBL8180586 | 0.99 | SMN1; SMN2 (0.57) | SMN1; SMN2RAB9ANPC1TP53KDM4E | |
| Hydrochloric Acid SCHEMBL9212469 | 0.97 | SMN1; SMN2 (0.56) | SMN1; SMN2RAB9ANPC1TP53KDM4E | |
| SCHEMBL6968837 | 0.97 | SMN1; SMN2 (0.58) | SMN1; SMN2RAB9ANPC1TP53KDM4E | |
| Bromide SCHEMBL6967598 | 0.86 | MEN1 (0.47) | SMN1; SMN2RAB9ANPC1TP53MLLT1 | |
| SCHEMBL8180687 | 0.86 | MEN1 (0.47) | SMN1; SMN2RAB9ANPC1TP53ALDH1A1 | |
| Hydrochloric Acid SCHEMBL6962238 | 0.85 | MEN1 (0.46) | SMN1; SMN2RAB9ANPC1TP53KDM4E | |
| SCHEMBL9039113 | 0.85 | MEN1 (0.48) | SMN1; SMN2RAB9ANPC1TP53MLLT1 | |
| SCHEMBL6968037 | 0.84 | ALDH1A1 (0.47) | SMN1; SMN2RAB9ANPC1TP53KDM4E | |
| Hydrochloric Acid SCHEMBL9221658 | 0.84 | MEN1 (0.47) | SMN1; SMN2RAB9ANPC1TP53KDM4E |
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 |