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 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.62 |
| ▸ | TSHR | P16473 | 2/20 | 0.62 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.62 |
| ▸ | PKM | P14618 | 1/20 | 0.55 |
| ▸ | RAB9A | P51151 | 2/20 | 0.55 |
| ▸ | MAPT | P10636 | 5/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | PRSS1 | P07477 | 4/20 | 0.49 |
| ▸ | HCAR3 | P49019 | 3/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | GALR3 | O60755 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | KAT2B | Q92831 | 2/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL24055 | 0.98 | ALDH1A1 (0.63) | ALDH1A1TSHRTDP1PKMRAB9A | |
| SCHEMBL29410422 | 0.98 | ALDH1A1 (0.63) | ALDH1A1TSHRTDP1PKMRAB9A | |
| Methoxymethane SCHEMBL7085872 | 0.93 | ALDH1A1 (0.58) | ALDH1A1TSHRTDP1PKMRAB9A | |
| SCHEMBL6001854 | 0.91 | TDP1 (0.56) | ALDH1A1TSHRTDP1PKMRAB9A | |
| SCHEMBL111519 | 0.89 | PRSS1 (0.55) | ALDH1A1TSHRTDP1PKMMAPT | |
| 3-Nitro-Phenol SCHEMBL7120003 | 0.88 | PKM (0.67) | ALDH1A1TSHRTDP1PKMRAB9A | |
| SCHEMBL28187128 | 0.87 | ALDH1A1 (0.58) | ALDH1A1TSHRTDP1PKMRAB9A | |
| SCHEMBL23456361 | 0.87 | PKM (0.53) | ALDH1A1TSHRTDP1PKMRAB9A | |
| SCHEMBL1814295 | 0.87 | ALDH1A1 (0.55) | ALDH1A1TSHRTDP1PKMRAB9A | |
| SCHEMBL9652783 | 0.86 | RAB9A (0.56) | ALDH1A1TSHRTDP1PKMRAB9A |
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 |
|---|---|---|---|---|---|---|---|
| CN-111333523-A | Synthetic method of 3-nitro-4-hydroxyethylaminophenol | 长兴进源新材料科技有限公司 | 2020-06-26 | — | — | CN | claimed |
| CN-111333523-A | Synthetic method of 3-nitro-4-hydroxyethylaminophenol | 长兴进源新材料科技有限公司 | 2020-06-26 | — | — | CN | disclosed |
| CN-111333523-A | Synthetic method of 3-nitro-4-hydroxyethylaminophenol | 长兴进源新材料科技有限公司 | 2020-06-26 | — | — | CN | disclosed |