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 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATM | Q13315 | 1/20 | 0.47 |
| ▸ | ITGB3 | P05106 | 5/20 | 0.47 |
| ▸ | ITGA2B | P08514 | 4/20 | 0.47 |
| ▸ | TACR1 | P25103 | 3/20 | 0.47 |
| ▸ | ITGAV | P06756 | 1/20 | 0.46 |
| ▸ | CTSL | P07711 | 2/20 | 0.46 |
| ▸ | CTSB | P07858 | 2/20 | 0.46 |
| ▸ | CTSS | P25774 | 2/20 | 0.46 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.46 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.46 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.46 |
| ▸ | TPSAB1 | Q15661 | 1/20 | 0.46 |
| ▸ | TYR | P14679 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL6495999 | 0.90 | ALDH1A1 (0.51) | ATMTACR1CTSLCTSBCTSS | |
| SCHEMBL7168299 | 0.81 | ITGB3 (0.59) | ITGB3ITGA2BITGAV | |
| SCHEMBL7168302 | 0.81 | ITGB3 (0.59) | ITGB3ITGA2BITGAV | |
| SCHEMBL20526765 | 0.80 | MDM4 (0.52) | — | |
| SCHEMBL20526762 | 0.80 | MDM4 (0.52) | — | |
| SCHEMBL32676378 | 0.80 | MDM4 (0.52) | — | |
| SCHEMBL25298238 | 0.80 | TNKS (0.51) | ATM | |
| SCHEMBL5392224 | 0.79 | ITGB3 (0.49) | ITGB3ITGA2BTACR1ITGAVCTSL | |
| SCHEMBL5392233 | 0.79 | ITGB3 (0.49) | ITGB3ITGA2BTACR1ITGAVCTSL | |
| SCHEMBL479010 | 0.78 | TACR1 (0.68) | ITGB3ITGA2BTACR1CTSLCTSB |
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 |
|---|---|---|---|---|---|---|---|
| EP-0815103-A1 | TRYPSIN AND THROMBIN INHIBITORS | Novartis AG (CH) | 1998-01-07 | — | — | EP | disclosed |
| WO-1996029327-A1 | TRYPSIN AND THROMBIN INHIBITORS | NOVARTIS AG (CH) | 1996-09-26 | — | — | WO | disclosed |