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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.67 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.67 |
| ▸ | MAPT | P10636 | 6/20 | 0.64 |
| ▸ | TP53 | P04637 | 1/20 | 0.62 |
| ▸ | RXFP1 | Q9HBX9 | 3/20 | 0.61 |
| ▸ | POLB | P06746 | 3/20 | 0.60 |
| ▸ | CASR | P41180 | 1/20 | 0.59 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.58 |
| ▸ | GAA | P10253 | 1/20 | 0.58 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.58 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.58 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.58 |
| ▸ | EGFR | P00533 | 1/20 | 0.58 |
| ▸ | LMNA | P02545 | 1/20 | 0.58 |
| ▸ | RECQL | P46063 | 1/20 | 0.58 |
| ▸ | RAB9A | P51151 | 1/20 | 0.58 |
| ▸ | MEN1 | O00255 | 1/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL27468746 | 0.99 | ALDH1A1 (0.68) | ALDH1A1SMN1; SMN2MAPTTP53RXFP1 | |
| SCHEMBL29276532 | 0.89 | CASR (0.72) | ALDH1A1SMN1; SMN2MAPTCASRCYP1A2 | |
| SCHEMBL6872120 | 0.86 | ALDH1A1 (0.68) | ALDH1A1SMN1; SMN2MAPTTP53RXFP1 | |
| SCHEMBL5751291 | 0.85 | CASR (0.82) | ALDH1A1SMN1; SMN2MAPTTP53RXFP1 | |
| SCHEMBL27926165 | 0.78 | ALDH1A1 (0.60) | ALDH1A1SMN1; SMN2MAPTTP53RXFP1 | |
| Bromide SCHEMBL8684539 | 0.78 | MEN1 (0.69) | ALDH1A1SMN1; SMN2CASRCYP1A2GAA | |
| SCHEMBL30227085 | 0.78 | CASR (0.72) | ALDH1A1SMN1; SMN2MAPTCASRCYP1A2 | |
| SCHEMBL11012826 | 0.78 | CASR (0.72) | ALDH1A1SMN1; SMN2MAPTCASRCYP1A2 | |
| SCHEMBL11008746 | 0.75 | CASR (0.72) | ALDH1A1SMN1; SMN2MAPTCASRCYP1A2 | |
| SCHEMBL6309822 | 0.75 | EGFR (0.74) | ALDH1A1SMN1; SMN2MAPTCASRCYP1A2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1119570-B1 | TRICYCLIC DELTA3-PIPERIDINES AS PHARMACEUTICALS | JANSSEN PHARMACEUTICA NV (BE) | 2004-06-16 | — | — | EP | disclosed |
| US-6352999-B1 | DRUGS FOR NERVOUS SYSTEM DISORDERS, PARKINSON'S DISEASE AND ANTIDEPRESSANTS | JANSSEN PHARMACEUTICA N.V. (BE) | 2002-03-05 | — | — | US | disclosed |
| EP-1119570-A1 | TRICYCLIC DELTA3-PIPERIDINES AS PHARMACEUTICALS | JANSSEN PHARMACEUTICA N.V. (BE) | 2001-08-01 | — | — | EP | disclosed |
| WO-2000020423-A1 | TRICYCLIC Δ3-PIPERIDINES AS PHARMACEUTICALS | JANSSEN PHARMACEUTICA N.V. (BE) | 2000-04-13 | — | — | WO | disclosed |