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 | |
|---|---|---|---|---|
| ▸ | HTR3A known ✓ | P46098 | 1/20 | 0.43 |
| ▸ | SIGMAR1 known ✓ | Q99720 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.70 |
| ▸ | TP53 | P04637 | 1/20 | 0.50 |
| ▸ | PKM | P14618 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | ALOX15B | O15296 | 1/20 | 0.49 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.48 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.48 |
| ▸ | PLAT | P00750 | 2/20 | 0.47 |
| ▸ | CA1 | P00915 | 3/20 | 0.47 |
| ▸ | CA2 | P00918 | 3/20 | 0.47 |
| ▸ | TLR9 | Q9NR96 | 2/20 | 0.46 |
| ▸ | TLR8 | Q9NR97 | 2/20 | 0.46 |
| ▸ | TLR7 | Q9NYK1 | 2/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | ATAD2 | Q6PL18 | 1/20 | 0.45 |
| ▸ | USP7 | Q93009 | 1/20 | 0.43 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL11782946 | 0.87 | CYP2C19 (0.84) | CYP2C19TP53PKMALDH1A1ALOX15B | |
| SCHEMBL407300 | 0.84 | CYP2C19 (0.53) | CYP2C19ALDH1A1ALOX15BCA1CA2 | |
| Bromide SCHEMBL2711503 | 0.84 | ALDH1A1 (0.71) | CYP2C19TP53ALDH1A1ALOX15BPLAT | |
| Hydrochloric Acid SCHEMBL438235 | 0.83 | CYP2C19 (0.51) | CYP2C19ALDH1A1ALOX15BCA1CA2 | |
| Bromide SCHEMBL2710523 | 0.83 | ALDH1A1 (0.73) | CYP2C19TP53ALDH1A1NPC1RAB9A | |
| SCHEMBL2247489 | 0.82 | NPC1 (0.53) | CYP2C19TP53ALDH1A1ALOX15BMKNK1 | |
| SCHEMBL20791706 | 0.82 | ALDH1A1 (0.73) | CYP2C19TP53ALDH1A1ALOX15BPLAT | |
| SCHEMBL20134808 | 0.82 | ALDH1A1 (0.52) | CYP2C19TP53ALDH1A1ALOX15BPLAT | |
| SCHEMBL16989724 | 0.80 | CYP2C19 (0.72) | CYP2C19TP53PKMALDH1A1ALOX15B | |
| SCHEMBL16989722 | 0.80 | CYP2C19 (0.72) | CYP2C19TP53PKMALDH1A1ALOX15B |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1930319-B1 | Proline derivatives and use thereof as drugs | MITSUBISHI TANABE PHARMA CORP (JP) | 2012-05-02 | — | — | EP | disclosed |
| EP-1308439-B1 | PROLINE DERIVATIVES AND USE THEREOF AS DRUGS | MITSUBISHI TANABE PHARMA CORP (JP) | 2008-10-15 | — | — | EP | disclosed |
| EP-1950199-A1 | Proline derivatives and use thereof as drugs | Mitsubishi Tanabe Pharma Corporation (JP) | 2008-07-30 | — | — | EP | disclosed |
| EP-1930319-A1 | Proline derivatives and use thereof as drugs | Mitsubishi Tanabe Pharma Corporation (JP) | 2008-06-11 | — | — | EP | disclosed |
| US-20060173056-A1 | Proline derivatives and use thereof as drugs | KITAJIMA HIROSHI | 2006-08-03 | — | — | US | disclosed |
| US-7074794-B2 | Proline derivatives and the use thereof as drugs | MITSUBISHI PHARMA CORPORATION (JP) | 2006-07-11 | — | — | US | disclosed |
| US-7060722-B2 | Proline derivatives and use thereof as drugs | MITSUBISHI PHARMA CORPORATION (JP) | 2006-06-13 | — | — | US | disclosed |
| US-20050245538-A1 | Proline derivatives and use thereof as drugs | KITAJIMA HIROSHI | 2005-11-03 | — | — | US | disclosed |
| US-20040106655-A1 | Proline derivatives and the use thereof as drugs | MITSUBISHI TANABE PHARMA CORPORATION (JP) | 2004-06-03 | — | — | US | disclosed |
| EP-1308439-A1 | PROLINE DERIVATIVES AND USE THEREOF AS DRUGS | WELFIDE CORPORATION (JP) | 2003-05-07 | — | — | 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 (3 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-20060173056-A1 | Proline derivatives and use thereof as drugs | DPP4, DPP3, DPP7 | HTR3A 1778/4885SIGMAR1 1411/4885CYP2C19 449/4885 |
| US-20050245538-A1 | Proline derivatives and use thereof as drugs | DPP4, DPP3, DPP7 | HTR3A 1778/4885SIGMAR1 1411/4885CYP2C19 449/4885 |
| US-20040106655-A1 | Proline derivatives and the use thereof as drugs | DPP4, DPP3, DPP7 | HTR3A 1161/4885SIGMAR1 1062/4885CYP2C19 453/4885 |
“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.