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 | |
|---|---|---|---|---|
| ▸ | SIGMAR1 known ✓ | Q99720 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.54 |
| ▸ | MEN1 | O00255 | 1/20 | 0.54 |
| ▸ | CXCR3 | P49682 | 2/20 | 0.48 |
| ▸ | EBP | Q15125 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 3/20 | 0.44 |
| ▸ | RAB9A | P51151 | 3/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | CASP3 | P42574 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.44 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.44 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | ILK | Q13418 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.40 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.39 |
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 SCHEMBL9774783 | 0.99 | KMT2A (0.52) | KMT2AMEN1CXCR3EBPSIGMAR1 | |
| SCHEMBL5224391 | 0.99 | KMT2A (0.55) | KMT2AMEN1CXCR3EBPSIGMAR1 | |
| Hydrochloric Acid SCHEMBL6030424 | 0.97 | KMT2A (0.54) | KMT2AMEN1CXCR3EBPSIGMAR1 | |
| SCHEMBL8274718 | 0.90 | KMT2A (0.49) | KMT2AMEN1CXCR3EBPSIGMAR1 | |
| Oxalic Acid SCHEMBL9774612 | 0.84 | NPC1 (0.49) | KMT2AMEN1CXCR3EBPSIGMAR1 | |
| SCHEMBL8111164 | 0.83 | CXCR3 (0.50) | KMT2AMEN1CXCR3EBPSIGMAR1 | |
| SCHEMBL9774792 | 0.83 | EBP (0.45) | KMT2AMEN1CXCR3EBPSIGMAR1 | |
| Bromide SCHEMBL9774712 | 0.82 | KMT2A (0.46) | KMT2AMEN1CXCR3EBPSIGMAR1 | |
| Bromide SCHEMBL9774708 | 0.82 | KMT2A (0.46) | KMT2AMEN1CXCR3EBPSIGMAR1 | |
| Bromide SCHEMBL8931224 | 0.82 | HTT (0.58) | CXCR3PTGDR2MAPTL3MBTL1 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5675027-A | ANTIHYPOXIC AGENT FOR TREATMENT OF STROKE | JANSSEN PHARMACEUTICA N.V. (BE) | 1997-10-07 | — | — | US | disclosed |
| US-5530011-A | ANTISTROKE THERAPY | JANSSEN PHARMACEUTICA N.V. (BE) | 1996-06-25 | — | — | US | disclosed |
| US-5434168-A | ANTISTROKE AGENTS | JANSSEN PHARMACEUTICA N.V. (BE) | 1995-07-18 | — | — | US | disclosed |
| US-5010198-A | Intermediates for the synthesis of benzoxazol- and benzothiazolamine derivatives, useful as anti-anoxic agents | JANSSEN PHARMACEUTICA N.V. (BE) | 1991-04-23 | — | — | US | disclosed |
| EP-0184257-B1 | BENZOXAZOL- AND BENZOTHIAZOLAMINE DERIVATIVES | JANSSEN PHARMACEUTICA N.V. (BE) | 1990-07-25 | — | — | EP | disclosed |
| US-4861785-A | Benzoxazol-and benzothiazolamine derivatives, useful as anti-anoxic agents | JANSSEN PHARMACEUTICA N.V. (BE) | 1989-08-29 | — | — | US | disclosed |
| EP-0184257-A1 | Benzoxazol- and benzothiazolamine derivatives | JANSSEN PHARMACEUTICA N.V. (BE) | 1986-06-11 | — | — | EP | disclosed |