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 | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 5/20 | 0.55 |
| ▸ | RAB9A | P51151 | 4/20 | 0.55 |
| ▸ | ATM | Q13315 | 1/20 | 0.55 |
| ▸ | TXNRD1 | Q16881 | 1/20 | 0.42 |
| ▸ | TXNRD3 | Q86VQ6 | 1/20 | 0.42 |
| ▸ | TXNRD2 | Q9NNW7 | 1/20 | 0.42 |
| ▸ | PKN1 | Q16512 | 1/20 | 0.41 |
| ▸ | PKN2 | Q16513 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 6/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.40 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.40 |
| ▸ | PDE7A | Q13946 | 1/20 | 0.40 |
| ▸ | PDE7B | Q9NP56 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL10439894 | 0.97 | NPC1 (0.58) | NPC1RAB9AATMTXNRD1TXNRD3 | |
| SCHEMBL29595963 | 0.97 | NPC1 (0.58) | NPC1RAB9AATMTXNRD1TXNRD3 | |
| Hydrochloric Acid SCHEMBL11217818 | 0.97 | NPC1 (0.58) | NPC1RAB9AATMTXNRD1TXNRD3 | |
| Hydrochloric Acid SCHEMBL1774847 | 0.96 | NPC1 (0.56) | NPC1RAB9AATMTXNRD1TXNRD3 | |
| Hydrochloric Acid SCHEMBL30611013 | 0.96 | NPC1 (0.56) | NPC1RAB9AATMTXNRD1TXNRD3 | |
| Hydrochloric Acid SCHEMBL30343291 | 0.90 | NPC1 (0.65) | NPC1RAB9AATMTXNRD1TXNRD3 | |
| Hydrochloric Acid SCHEMBL599994 | 0.90 | NPC1 (0.65) | NPC1RAB9AATMTXNRD1TXNRD3 | |
| Bromide SCHEMBL5144105 | 0.90 | NPC1 (0.61) | NPC1RAB9AATMTXNRD1TXNRD3 | |
| SCHEMBL11694301 | 0.89 | NPC1 (0.62) | NPC1RAB9AATMTXNRD1TXNRD3 | |
| Hydrochloric Acid SCHEMBL8068701 | 0.85 | NPC1 (0.67) | NPC1RAB9AATMTXNRD1TXNRD3 |
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-113457643-A | Porphyrin-viologen cationic porous polymer and preparation method and application thereof | 潍坊学院 | 2021-10-01 | — | — | CN | claimed |
| CN-113457643-A | Porphyrin-viologen cationic porous polymer and preparation method and application thereof | 潍坊学院 | 2021-10-01 | — | — | CN | disclosed |