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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 4/20 | 0.54 |
| ▸ | NPC1 | O15118 | 3/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.54 |
| ▸ | RAB9A | P51151 | 3/20 | 0.54 |
| ▸ | MEN1 | O00255 | 2/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.54 |
| ▸ | NOS1 | P29475 | 2/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.44 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.44 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.44 |
| ▸ | KDM1A | O60341 | 5/20 | 0.44 |
| ▸ | BAZ2A | Q9UIF9 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | PIK3CG | P48736 | 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 | |
|---|---|---|---|---|
| SCHEMBL965863 | 0.98 | — | — | |
| Hydrochloric Acid SCHEMBL4683596 | 0.96 | MAPT (0.59) | MAPTNPC1ALDH1A1RAB9AMEN1 | |
| Bromide SCHEMBL1073577 | 0.81 | ALDH1A1 (0.51) | MAPTNPC1ALDH1A1RAB9AMEN1 | |
| SCHEMBL27662308 | 0.80 | ALDH1A1 (0.55) | MAPTNPC1ALDH1A1RAB9AMEN1 | |
| Bromide SCHEMBL5929889 | 0.79 | MAPT (0.63) | MAPTNPC1ALDH1A1RAB9AMEN1 | |
| Bicarbonate SCHEMBL9655453 | 0.79 | ALDH1A1 (0.50) | MAPTNPC1ALDH1A1RAB9AMEN1 | |
| SCHEMBL18977470 | 0.79 | ALDH1A1 (0.50) | MAPTNPC1ALDH1A1RAB9AMEN1 | |
| Methane SCHEMBL19899593 | 0.78 | ALDH1A1 (0.53) | MAPTNPC1ALDH1A1RAB9AMEN1 | |
| SCHEMBL692035 | 0.78 | — | — | |
| SCHEMBL94064 | 0.78 | — | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102414168-B | Bridged spiro [2.4] heptane derivatives as ALX receptor and/or FPRL2 agonists | ACTELION PHARMACEUTICALS LTD | 2014-05-21 | — | — | CN | disclosed |
| US-8563714-B2 | Bridged spiro [2.4] heptane derivatives as ALX receptor and/or FPRL2 agonists | ACTELION PHARMACEUTICALS LTD. (CH) | 2013-10-22 | — | — | US | disclosed |
| EP-2432760-B1 | BRIDGED SPIRO [2.4] HEPTANE DERIVATIVES AS ALX RECEPTOR AND/OR FPRL2 AGONISTS | ACTELION PHARMACEUTICALS LTD (CH) | 2013-07-17 | — | — | EP | disclosed |
| US-20120115841-A1 | BRIDGED SPIRO [2.4] HEPTANE DERIVATIVES AS ALX RECEPTOR AND/OR FPRL2 AGONISTS | ACTELION PHARMACEUTICALS LTD. (CH) | 2012-05-10 | — | — | US | disclosed |
| CN-102414168-A | Bridged spiro [2.4] heptane derivatives as ALX receptor and/or FPRL2 agonists | ACTELION PHARMACEUTICALS LTD | 2012-04-11 | — | — | CN | disclosed |
| EP-2432760-A1 | BRIDGED SPIRO [2.4]HEPTANE DERIVATIVES AS ALX RECEPTOR AND/OR FPRL2 AGONISTS | Actelion Pharmaceuticals Ltd. (CH) | 2012-03-28 | — | — | EP | disclosed |
| WO-2010134014-A1 | BRIDGED SPIRO [2.4] HEPTANE DERIVATIVES AS ALX RECEPTOR AND/OR FPRL2 AGONISTS | ACTELION PHARMACEUTICALS LTD (CH) | 2010-11-25 | — | — | WO | disclosed |
| CN-1012365-B | 2- (N-substituted guanidino) -4-heteroaryl thiazole antiulcer agent and its preparation method | PFIZER (US) | 1991-04-17 | — | — | CN | disclosed |
| CN-85103265-A | The method of preparation 2-(guanidine radicals that N-replaces)-4-heteroaryl thiazole anti ulcer agent | — | 1986-12-10 | — | — | CN | disclosed |
| US-4560690-A | ANTISECRETORY AGENTS, HISTAMINE H2-ANTAGONISTS | PFIZER INC. (US) | 1985-12-24 | — | — | US | disclosed |
| EP-0161841-A1 | 2-(N-substituteguanidino)-4-hetero-arylthiazole antiulcer agents | PFIZER INC. (US) | 1985-11-21 | — | — | EP | 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 (1 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-20120115841-A1 | BRIDGED SPIRO [2.4] HEPTANE DERIVATIVES AS ALX RECEPTOR AND/OR FPRL2 AGONISTS | FPR1, FPR2, FPR3 | MAPT 4373/4885NPC1 3287/4885ALDH1A1 1293/4885 |
“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.