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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | ANPEP | P15144 | 2/20 | 0.46 |
| ▸ | ERAP1 | Q9NZ08 | 2/20 | 0.46 |
| ▸ | ERAP2 | Q6P179 | 1/20 | 0.46 |
| ▸ | HTR6 | P50406 | 2/20 | 0.43 |
| ▸ | BLM | P54132 | 2/20 | 0.43 |
| ▸ | CA2 | P00918 | 3/20 | 0.41 |
| ▸ | CA1 | P00915 | 2/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | CA4 | P22748 | 1/20 | 0.40 |
| ▸ | CTSB | P07858 | 1/20 | 0.40 |
| ▸ | CTSH | P09668 | 1/20 | 0.40 |
| ▸ | CTSS | P25774 | 1/20 | 0.40 |
| ▸ | CTSK | P43235 | 1/20 | 0.40 |
| ▸ | CTSC | P53634 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 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 | |
|---|---|---|---|---|
| SCHEMBL27284049 | 0.98 | ALDH1A1 (0.50) | ALDH1A1CYP1A2CYP2C9CYP2C19ANPEP | |
| SCHEMBL27292174 | 0.87 | OPRK1 (0.43) | ALDH1A1CYP1A2CYP2C9CYP2C19ANPEP | |
| SCHEMBL27287740 | 0.79 | EPHX1 (0.50) | CYP1A2ANPEPCA2CA1CA9 | |
| SCHEMBL12497700 | 0.79 | ANPEP (0.50) | ALDH1A1CYP1A2CYP2C9CYP2C19ANPEP | |
| Hydrochloric Acid SCHEMBL8160350 | 0.79 | ALDH1A1 (0.46) | ALDH1A1CYP1A2CYP2C9CYP2C19ANPEP | |
| SCHEMBL27631211 | 0.78 | ANPEP (0.53) | ALDH1A1CYP1A2CYP2C9CYP2C19ANPEP | |
| SCHEMBL28604397 | 0.78 | SMN1; SMN2 (0.50) | HTR6CA2CA1CA9CA12 | |
| SCHEMBL27560669 | 0.75 | MMP13 (0.44) | ALDH1A1CYP1A2CYP2C19CA2CA1 | |
| SCHEMBL27996085 | 0.75 | MMP13 (0.50) | ALDH1A1CYP1A2CYP2C9CYP2C19ANPEP | |
| SCHEMBL8732760 | 0.75 | CA12 (0.44) | ALDH1A1HTR6CA2CA1CA9 |
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 |
|---|---|---|---|---|---|---|---|
| US-5776718-A | Reversible protease inhibitors | ARRIS PHARMACEUTICAL CORPORATION (US) | 1998-07-07 | — | — | US | disclosed |
| EP-0817778-A1 | REVERSIBLE PROTEASE INHIBITORS | ARRIS PHARMACEUTICAL CORPORATION (US) | 1998-01-14 | — | — | EP | disclosed |
| WO-1996030353-A1 | REVERSIBLE PROTEASE INHIBITORS | ARRIS PHARMACEUTICAL CORPORATION (US) | 1996-10-03 | — | — | WO | disclosed |