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 | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 3/20 | 0.64 |
| ▸ | AGXT | P21549 | 2/20 | 0.64 |
| ▸ | CA1 | P00915 | 2/20 | 0.56 |
| ▸ | CA2 | P00918 | 2/20 | 0.56 |
| ▸ | APP | P05067 | 7/20 | 0.55 |
| ▸ | CA12 | O43570 | 1/20 | 0.55 |
| ▸ | CA7 | P43166 | 1/20 | 0.55 |
| ▸ | CA9 | Q16790 | 1/20 | 0.55 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.55 |
| ▸ | MAOB | P27338 | 1/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.53 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.53 |
| ▸ | LTA4H | P09960 | 1/20 | 0.52 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.52 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | TP53 | P04637 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL34413 | 0.97 | IDO1 (0.67) | IDO1AGXTCA1CA2APP | |
| SCHEMBL1475481 | 0.95 | IDO1 (0.64) | IDO1AGXTCA1CA2APP | |
| Hydrochloric Acid SCHEMBL28912134 | 0.95 | IDO1 (0.68) | IDO1AGXTCA1CA2APP | |
| Methoxymethane SCHEMBL28823290 | 0.95 | IDO1 (0.64) | IDO1AGXTCA1CA2APP | |
| Potassium SCHEMBL1477050 | 0.95 | IDO1 (0.64) | IDO1AGXTCA1CA2APP | |
| Methyl Alcohol SCHEMBL28823289 | 0.93 | IDO1 (0.61) | IDO1AGXTCA1CA2APP | |
| SCHEMBL11132718 | 0.91 | IDO1 (0.59) | IDO1AGXTCA1CA2APP | |
| SCHEMBL11132720 | 0.91 | LTA4H (0.65) | IDO1AGXTCA1CA2APP | |
| SCHEMBL9292118 | 0.89 | ACHE (0.65) | IDO1AGXTCA1CA2APP | |
| SCHEMBL6429953 | 0.89 | LTA4H (0.69) | IDO1AGXTCA1CA2APP |
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 |
|---|---|---|---|---|---|---|---|
| CN-112759759-B | Multi-phosphate compound, preparation method and application thereof | 东南大学 | 2022-04-22 | — | — | CN | disclosed |
| CN-112759759-A | Multi-phosphate compound, preparation method and application thereof | 东南大学 | 2021-05-07 | — | — | CN | disclosed |