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 | |
|---|---|---|---|---|
| ▸ | MMP2 | P08253 | 6/20 | 0.39 |
| ▸ | MMP9 | P14780 | 5/20 | 0.39 |
| ▸ | MMP3 | P08254 | 3/20 | 0.39 |
| ▸ | MMP8 | P22894 | 3/20 | 0.39 |
| ▸ | MMP13 | P45452 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | GFER | P55789 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | MMP1 | P03956 | 1/20 | 0.34 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.34 |
| ▸ | PGR | P06401 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | UTS2R | Q9UKP6 | 1/20 | 0.32 |
| ▸ | MMP14 | P50281 | 1/20 | 0.32 |
| ▸ | MMP17 | Q9ULZ9 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
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 SCHEMBL9321448 | 1.00 | MMP2 (0.39) | MMP2MMP9MMP3MMP8MMP13 | |
| SCHEMBL8637040 | 0.99 | MMP2 (0.40) | MMP2MMP9MMP3MMP8MMP13 | |
| Famoxadone SCHEMBL63351 | 0.86 | MMP2 (0.42) | MMP2MMP9MMP3MMP8MMP13 | |
| Famoxadone SCHEMBL14128616 | 0.86 | MMP2 (0.42) | MMP2MMP9MMP3MMP8MMP13 | |
| Famoxadone SCHEMBL673443 | 0.86 | MMP2 (0.42) | MMP2MMP9MMP3MMP8MMP13 | |
| Famoxadone SCHEMBL17293878 | 0.85 | MMP2 (0.41) | MMP2MMP9MMP3MMP8MMP13 | |
| Famoxadone SCHEMBL28139781 | 0.81 | MMP1 (0.40) | MMP2MMP9MMP3MMP8MMP13 | |
| Famoxadone SCHEMBL27502240 | 0.81 | MMP2 (0.38) | MMP2MMP9MMP3MMP8MMP13 | |
| SCHEMBL8637042 | 0.80 | MMP2 (0.35) | MMP2MMP9MMP3MMP8MMP13 | |
| SCHEMBL8638618 | 0.80 | MMP2 (0.36) | MMP2MMP9MMP3MMP8MMP13 |
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-0577712-B1 | FUNGICIDAL 4-THIOXOOXAZOLIDIN-2-ONES AND 4-IMINOOXAZOLINDIN-2-ONES | DU PONT (US) | 1998-07-29 | — | — | EP | claimed |
| EP-0577712-A1 | FUNGICIDAL 4-THIOXOOXAZOLIDIN-2-ONES AND 4-IMINOOXAZOLINDIN-2-ONES | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1994-01-12 | — | — | EP | claimed |
| WO-1992016515-A1 | FUNGICIDAL 4-THIOXOOXAZOLIDIN-2-ONES AND 4-IMINOOXAZOLINDIN-2-ONES | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1992-10-01 | — | — | WO | claimed |
| EP-0503798-A1 | Fungicidal 4-thixooxazolidin-2-ones and 4-iminooxazolindin-2-ones | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1992-09-16 | — | — | EP | claimed |
| EP-0577712-B1 | FUNGICIDAL 4-THIOXOOXAZOLIDIN-2-ONES AND 4-IMINOOXAZOLINDIN-2-ONES | DU PONT (US) | 1998-07-29 | — | — | EP | disclosed |
| EP-0577712-A1 | FUNGICIDAL 4-THIOXOOXAZOLIDIN-2-ONES AND 4-IMINOOXAZOLINDIN-2-ONES | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1994-01-12 | — | — | EP | disclosed |
| WO-1992016515-A1 | FUNGICIDAL 4-THIOXOOXAZOLIDIN-2-ONES AND 4-IMINOOXAZOLINDIN-2-ONES | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1992-10-01 | — | — | WO | disclosed |
| EP-0503798-A1 | Fungicidal 4-thixooxazolidin-2-ones and 4-iminooxazolindin-2-ones | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1992-09-16 | — | — | EP | disclosed |