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 | |
|---|---|---|---|---|
| ▸ | F12 | P00748 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | PRSS1 | P07477 | 5/20 | 0.45 |
| ▸ | PRSS3 | P35030 | 3/20 | 0.45 |
| ▸ | PRSS2 | P07478 | 2/20 | 0.45 |
| ▸ | F2 | P00734 | 4/20 | 0.44 |
| ▸ | PLAU | P00749 | 3/20 | 0.44 |
| ▸ | PLG | P00747 | 3/20 | 0.44 |
| ▸ | KLK1 | P06870 | 2/20 | 0.44 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.44 |
| ▸ | KDM1A | O60341 | 1/20 | 0.44 |
| ▸ | KLK5 | Q9Y337 | 1/20 | 0.43 |
| ▸ | SNCA | P37840 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | F10 | P00742 | 1/20 | 0.42 |
| ▸ | PLAT | P00750 | 1/20 | 0.42 |
| ▸ | ESR1 | P03372 | 1/20 | 0.42 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.42 |
| ▸ | MASP2 | O00187 | 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 | |
|---|---|---|---|---|
| SCHEMBL12581536 | 0.98 | F12 (0.48) | F12LMNAPRSS1PRSS3PRSS2 | |
| Hydrochloric Acid SCHEMBL7913049 | 0.96 | F12 (0.47) | F12LMNAPRSS1PRSS3PRSS2 | |
| Hydrochloric Acid SCHEMBL22974828 | 0.94 | F12 (0.46) | F12LMNAPRSS1PRSS3PRSS2 | |
| Trifluoroacetic Acid SCHEMBL13269627 | 0.84 | KLK1 (0.47) | LMNAPRSS1F2KLK1KLK5 | |
| SCHEMBL1713947 | 0.82 | LMNA (0.61) | LMNAPLAUKDM4EHSD17B10ESR1 | |
| SCHEMBL1262883 | 0.80 | CES2 (0.54) | F12LMNAPRSS1PRSS3PRSS2 | |
| Hydrochloric Acid SCHEMBL3515941 | 0.78 | LMNA (0.52) | F12LMNAPRSS1PRSS3PRSS2 | |
| SCHEMBL9314470 | 0.78 | LMNA (0.54) | F12LMNAPRSS1PRSS3PRSS2 | |
| SCHEMBL22995847 | 0.77 | SNCA (0.44) | LMNAKDM1ASNCAKDM4EHSD17B10 | |
| SCHEMBL1061714 | 0.77 | LCK (0.53) | LMNAKDM1ASNCAKDM4EHSD17B10 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1135450-A1 | CHIRAL LIQUID CRYSTAL COMPOUNDS HAVING A FLUORINATED TERMINAL PORTION | MINNESOTA MINING AND MANUFACTURING COMPANY (US) | 2001-09-26 | — | — | EP | disclosed |
| US-6139924-A | CONTAINING A PYRIMIDINE RING | 3M INNOVATIVE PROPERTIES COMPANY (US) | 2000-10-31 | — | — | US | disclosed |
| WO-2000031210-A1 | CHIRAL LIQUID CRYSTAL COMPOUNDS HAVING A FLUORINATED TERMINAL PORTION | MINNESOTA MINING AND MANUFACTURING COMPANY (US) | 2000-06-02 | — | — | WO | disclosed |
| US-5928562-A | HAVING EXTENDED HYDROCARBON ETHER GROUP ADJACENT TO A TERMINAL FLUOROALKYL OR FLUOROETHER GROUP; LOW VISCOSITY; HIGH SPEED RESPONSE; BRIGHTNESS; COMMPATIBILITY; DISPLAYS | MINNESOTA MINING AND MANUFACTURING COMPANY (US) | 1999-07-27 | — | — | US | disclosed |