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 | |
|---|---|---|---|---|
| ▸ | CHRM3 known ✓ | P20309 | 1/20 | 0.33 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | NCF1 | P14598 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | GNAI3 | P08754 | 3/20 | 0.33 |
| ▸ | GNAO1 | P09471 | 3/20 | 0.33 |
| ▸ | GNAI1 | P63096 | 3/20 | 0.33 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.33 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.32 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.31 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL942233 | 0.98 | NLRP3 (0.41) | NLRP3ALDH1A1NCF1HTTSMN1; SMN2 | |
| SCHEMBL13783634 | 0.81 | ALDH1A1 (0.37) | ALDH1A1NCF1HTTSMN1; SMN2LMNA | |
| Bromide SCHEMBL2656904 | 0.80 | EPHX2 (0.40) | SMN1; SMN2CYP1A2TDP1 | |
| SCHEMBL8351923 | 0.78 | HTT (0.41) | ALDH1A1NCF1HTTSMN1; SMN2LMNA | |
| SCHEMBL15508724 | 0.78 | NCF1 (0.38) | ALDH1A1NCF1HTTSMN1; SMN2LMNA | |
| SCHEMBL190471 | 0.78 | EPHX2 (0.41) | SMN1; SMN2CYP1A2TDP1 | |
| SCHEMBL3981214 | 0.77 | ALDH1A1 (0.37) | ALDH1A1NCF1HTTSMN1; SMN2LMNA | |
| SCHEMBL15958211 | 0.77 | NCF1 (0.46) | ALDH1A1NCF1HTTSMN1; SMN2LMNA | |
| SCHEMBL13714198 | 0.77 | ALDH1A1 (0.39) | ALDH1A1NCF1HTTSMN1; SMN2LMNA | |
| SCHEMBL16366 | 0.77 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2097413-B1 | 2-[(2-SUBSTITUTED)-IND0LIZIN-3-YL]-2-OXO-ACETAMIDE DERIVATIVES AS ANTIFUNGAL AGENTS | F2G LTD (GB) | 2013-12-25 | — | — | EP | disclosed |
| US-8604029-B2 | 2-[(2-substituted)-indolizin-3-yl]-2-oxo-acetamide derivatives as antifungal agents | F2G LTD BRITISH BODY CORPORATE (GB) | 2013-12-10 | — | — | US | disclosed |
| US-20110183969-A1 | ANTIFUNGAL COMBINATION THERAPY | F2G LTD (GB) | 2011-07-28 | — | — | US | disclosed |
| EP-2303329-A1 | ANTIFUNGAL COMBINATION THERAPY | F2G Limited (GB) | 2011-04-06 | — | — | EP | disclosed |
| US-20100056511-A1 | 2- [ (2-SUBSTITUTED) -IND0LIZIN-3-YL] -2-OXO-ACETAMIDE DERIVATIVES AS ANTIFUNGAL AGENTS | F2G LTD. | 2010-03-04 | — | — | US | disclosed |
| WO-2009144473-A1 | ANTIFUNGAL COMBINATION THERAPY | F2G LIMITED (GB) | 2009-12-03 | — | — | WO | disclosed |
| EP-2097413-A1 | 2-[(2-SUBSTITUTED)-IND0LIZIN-3-YL]-2-OXO-ACETAMIDE DERIVATIVES AS ANTIFUNGAL AGENTS | F2G Limited (GB) | 2009-09-09 | — | — | EP | disclosed |
| WO-2008062182-A1 | 2- [ (2-SUBSTITUTED) -IND0LIZIN-3-YL] -2-OXO-ACETAMIDE DERIVATIVES AS ANTIFUNGAL AGENTS | F2G LTD (GB) | 2008-05-29 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20110183969-A1 | ANTIFUNGAL COMBINATION THERAPY | IDO1, FOXM1, IPO5 | CHRM3 448/4885NLRP3 296/4885ALDH1A1 2813/4885 |
| US-20100056511-A1 | 2- [ (2-SUBSTITUTED) -IND0LIZIN-3-YL] -2-OXO-ACETAMIDE DERIVATIVES AS ANTIFUNGAL AGENTS | NAT1, AGXT, CYP1A2 | CHRM3 896/4885NLRP3 726/4885ALDH1A1 318/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.