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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NAMPT | P43490 | 1/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.52 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.51 |
| ▸ | MEN1 | O00255 | 4/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.50 |
| ▸ | SCN3A | Q9NY46 | 2/20 | 0.50 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.50 |
| ▸ | PSMB8 | P28062 | 2/20 | 0.49 |
| ▸ | MAPT | P10636 | 4/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 2/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | ULK1 | O75385 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL621278 | 0.99 | NAMPT (0.62) | NAMPTALDH1A1EPHX1MEN1KMT2A | |
| SCHEMBL27549576 | 0.99 | NAMPT (0.62) | NAMPTALDH1A1EPHX1MEN1KMT2A | |
| SCHEMBL8520214 | 0.99 | NAMPT (0.62) | NAMPTALDH1A1EPHX1MEN1KMT2A | |
| Hydrochloric Acid SCHEMBL29398644 | 0.97 | NAMPT (0.61) | NAMPTALDH1A1EPHX1MEN1KMT2A | |
| Trifluoroacetic Acid SCHEMBL30553972 | 0.90 | NAMPT (0.53) | NAMPTALDH1A1EPHX1MEN1KMT2A | |
| Trifluoroacetic Acid SCHEMBL28183357 | 0.90 | NAMPT (0.53) | NAMPTALDH1A1EPHX1MEN1KMT2A | |
| SCHEMBL12490815 | 0.83 | MEN1 (0.52) | NAMPTALDH1A1EPHX1MEN1KMT2A | |
| Dl-Phenylalanine SCHEMBL29006902 | 0.82 | CTSC (0.48) | NAMPTALDH1A1MEN1KMT2ASCN3A | |
| SCHEMBL2409615 | 0.81 | NAMPT (0.46) | NAMPTALDH1A1EPHX1MEN1KMT2A | |
| SCHEMBL13388756 | 0.81 | SCN3A (0.64) | SCN3ASCN9APSMB8LMNAULK1 |
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 |
|---|---|---|---|---|---|---|---|
| US-4191808-A | DIPEPTIDE CONTAINING PROLINE AND A PHOTOMETRICALLY DETECTABLE NITROANILINE, PHENYLAZOANILINE OR PHENYLAZONAPHTHYLAMINE GROUP | AJINOMOTO CO., INC. (JP) | 1980-03-04 | — | — | US | disclosed |
| US-4119620-A | Novel dipeptide derivatives, salts thereof, and method of measuring enzyme activity | AJINOMOTO CO., INC. (JP) | 1978-10-10 | — | — | US | disclosed |