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 | 0.41 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.53 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.53 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.53 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.53 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | POLB | P06746 | 2/20 | 0.47 |
| ▸ | TSHR | P16473 | 2/20 | 0.45 |
| ▸ | GABRP | O00591 | 1/20 | 0.45 |
| ▸ | GABRD | O14764 | 1/20 | 0.45 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.45 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.45 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.45 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.45 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.45 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.45 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL4688805 | 0.98 | CHRNB2 (0.55) | CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4 | |
| SCHEMBL16036865 | 0.86 | CHRNB2 (0.56) | CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4 | |
| SCHEMBL12696525 | 0.86 | CHRNB2 (0.56) | CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4 | |
| Trifluoroacetic Acid SCHEMBL23674878 | 0.86 | CHRNB2 (0.45) | CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4 | |
| Hydrochloric Acid SCHEMBL2146404 | 0.85 | CHRNB2 (0.54) | CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4 | |
| Hydrochloric Acid SCHEMBL2146410 | 0.85 | CHRNB2 (0.54) | CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4 | |
| SCHEMBL11624675 | 0.84 | POLB (0.47) | CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4 | |
| SCHEMBL172134 | 0.83 | — | — | |
| SCHEMBL10076786 | 0.83 | SMN1; SMN2 (0.60) | CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4 | |
| SCHEMBL13113457 | 0.81 | GABRP (0.47) | CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1140905-A1 | HETEROAROMATIC AMIDES AS INHIBITOR OF FACTOR XA | ELI LILLY AND COMPANY (US) | 2001-10-10 | — | — | EP | disclosed |
| EP-1140881-A1 | ANTITHROMBOTIC AMIDES | ELI LILLY AND COMPANY (US) | 2001-10-10 | — | — | EP | disclosed |
| WO-2000039111-A1 | ANTITHROMBOTIC AMIDES | ELI LILLY AND COMPANY (US) | 2000-07-06 | — | — | WO | disclosed |
| WO-2000039117-A1 | HETEROROAROMATIC AMIDES AS INHIBITOR OF FACTOR Xa | ELI LILLY AND COMPANY (US) | 2000-07-06 | — | — | WO | disclosed |