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 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.43 |
| ▸ | ATM | Q13315 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.36 |
| ▸ | KCNA1 | Q09470 | 1/20 | 0.36 |
| ▸ | BBOX1 | O75936 | 1/20 | 0.32 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.32 |
| ▸ | RAD52 | P43351 | 1/20 | 0.32 |
| ▸ | DNM1 | Q05193 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL31043496 | 0.95 | KDM4E (0.46) | KDM4EPMP22ATMTSHRNFKB1 | |
| Hydrochloric Acid SCHEMBL239689 | 0.95 | — | — | |
| Hydrochloric Acid SCHEMBL28030270 | 0.95 | KDM4E (0.46) | KDM4EPMP22ATMTSHRNFKB1 | |
| Bromide SCHEMBL13736914 | 0.95 | TSHR (0.39) | KDM4EPMP22ATMTSHRNFKB1 | |
| Bromide SCHEMBL235582 | 0.95 | — | — | |
| Bromide SCHEMBL13736910 | 0.91 | TSHR (0.36) | KDM4EPMP22ATMTSHRNFKB1 | |
| SCHEMBL151455 | 0.91 | — | — | |
| Hydrochloric Acid SCHEMBL9198670 | 0.87 | KDM4E (0.40) | KDM4EPMP22ATMTSHRNFKB1 | |
| Iodide SCHEMBL237968 | 0.86 | — | — | |
| SCHEMBL7159542 | 0.86 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2019176920-A1 | METHOD FOR PRODUCING CARBODIIMIDE COMPOUND | 日清紡ケミカル株式会社 | 2019-09-19 | — | — | WO | disclosed |
| WO-2019176919-A1 | METHOD FOR PRODUCING CARBODIIMIDE COMPOUND | 日清紡ケミカル株式会社 | 2019-09-19 | — | — | WO | disclosed |