Known targets — ChEMBL curated mechanism
ACHECHKACHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGHRH2OPRM1
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 | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 4/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | SNCA | P37840 | 2/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.40 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | CES2 | O00748 | 1/20 | 0.39 |
| ▸ | CES1 | P23141 | 1/20 | 0.39 |
| ▸ | CPA1 | P15085 | 3/20 | 0.38 |
| ▸ | PTPRF | P10586 | 1/20 | 0.38 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.38 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.38 |
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 SCHEMBL1542578 | 0.87 | TSHR (0.54) | LMNAALDH1A1TSHRCYP1A2CYP2C19 | |
| Bromide SCHEMBL31614288 | 0.87 | TSHR (0.54) | LMNAALDH1A1TSHRCYP1A2CYP2C19 | |
| SCHEMBL15846765 | 0.85 | TSHR (0.56) | LMNAALDH1A1TSHRCYP1A2CYP2C19 | |
| Bromide SCHEMBL722749 | 0.85 | SNCA (0.53) | LMNAALDH1A1SNCATSHRCYP1A2 | |
| Bromide SCHEMBL7198157 | 0.84 | ACHE (0.47) | LMNAALDH1A1TSHRCYP1A2CYP2C19 | |
| Hydrochloric Acid SCHEMBL7117545 | 0.84 | TSHR (0.54) | LMNAALDH1A1TSHRCYP1A2CYP2C19 | |
| Bromide SCHEMBL7194050 | 0.83 | TSHR (0.50) | LMNAALDH1A1TSHRCYP1A2CYP2C19 | |
| SCHEMBL8374037 | 0.83 | CYP1A2 (0.53) | LMNAALDH1A1SNCATSHRCYP1A2 | |
| Hydrochloric Acid SCHEMBL5427779 | 0.81 | CYP1A2 (0.51) | LMNAALDH1A1SNCATSHRCYP1A2 | |
| Hydrochloric Acid SCHEMBL7196958 | 0.81 | ACHE (0.47) | LMNAALDH1A1TSHRCYP1A2CYP2C19 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7094798-B1 | Inhibitors of checkpoint kinases (Wee1 and Chk1) | PFIZER INC (US) | 2006-08-22 | — | — | US | disclosed |
| EP-1501831-A1 | INHIBITORS OF CHECKPOINT KINASES (WEE1 AND CHK1) | WARNER-LAMBERT COMPANY LLC (US) | 2005-02-02 | — | — | EP | disclosed |
| WO-2003091255-A1 | INHIBITORS OF CHECKPOINT KINASES (WEE1 AND CHK1) | WARNER-LAMBERT COMPANY LLC (US) | 2003-11-06 | — | — | WO | disclosed |