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 | 4/20 | 0.56 |
| ▸ | MAPT | P10636 | 4/20 | 0.56 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.56 |
| ▸ | HPGD | P15428 | 1/20 | 0.53 |
| ▸ | ERCC5 | P28715 | 1/20 | 0.53 |
| ▸ | FEN1 | P39748 | 1/20 | 0.53 |
| ▸ | HAO1 | Q9UJM8 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.51 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.51 |
| ▸ | GSK3B | P49841 | 1/20 | 0.51 |
| ▸ | USP2 | O75604 | 1/20 | 0.51 |
| ▸ | RAB9A | P51151 | 3/20 | 0.50 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.50 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.49 |
| ▸ | NPC1 | O15118 | 2/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL7006232 | 0.97 | SMN1; SMN2 (0.56) | SMN1; SMN2MAPTL3MBTL1HPGDERCC5 | |
| SCHEMBL10788888 | 0.88 | KMT2A (0.56) | SMN1; SMN2MAPTL3MBTL1HPGDERCC5 | |
| Hydrochloric Acid SCHEMBL28169360 | 0.86 | KMT2A (0.54) | SMN1; SMN2MAPTL3MBTL1HPGDERCC5 | |
| SCHEMBL6871371 | 0.81 | ERCC5 (0.58) | SMN1; SMN2HPGDERCC5FEN1ALDH1A1 | |
| Hydrochloric Acid SCHEMBL6866018 | 0.80 | ERCC5 (0.56) | SMN1; SMN2HPGDERCC5FEN1ALDH1A1 | |
| Hydrochloric Acid SCHEMBL7006229 | 0.80 | HPGD (0.51) | SMN1; SMN2MAPTL3MBTL1HPGDHAO1 | |
| SCHEMBL28309572 | 0.79 | ALDH1A1 (0.47) | SMN1; SMN2MAPTHPGDERCC5FEN1 | |
| SCHEMBL2298691 | 0.77 | PLOD2 (0.53) | SMN1; SMN2MAPTHPGDALDH1A1KDM4E | |
| Hydrochloric Acid SCHEMBL6463561 | 0.77 | ADRB2 (0.49) | L3MBTL1ALDH1A1KDM4EPTPN1RAB9A | |
| SCHEMBL2295669 | 0.77 | GSK3B (0.52) | MAPTHPGDHAO1ALDH1A1KDM4E |
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-0970084-B1 | PYRROLO 2,3D]PYRIMIDINES AND THEIR USE AS TYROSINE KINASE INHIBITORS | BASF AG (DE) | 2003-06-04 | — | — | EP | disclosed |
| US-6001839-A | Substituted 4-amino-7H-pyrrolo [2,3,-d]-pyrimidines as PTK inhibitors | BASF AKTIENGESELLSCHAFT (DE) | 1999-12-14 | — | — | US | disclosed |