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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB1 known ✓ | P08588 | 5/20 | 0.50 |
| ▸ | HTR3A known ✓ | P46098 | 3/20 | 0.46 |
| ▸ | SIGMAR1 known ✓ | Q99720 | 3/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.59 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.59 |
| ▸ | HTR6 | P50406 | 4/20 | 0.56 |
| ▸ | SIRT6 | Q8N6T7 | 1/20 | 0.47 |
| ▸ | CHRNB2 | P17787 | 5/20 | 0.47 |
| ▸ | CHRNA4 | P43681 | 5/20 | 0.47 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.47 |
| ▸ | HTR3E | A5X5Y0 | 3/20 | 0.46 |
| ▸ | HTR3B | O95264 | 3/20 | 0.46 |
| ▸ | HTR3D | Q70Z44 | 3/20 | 0.46 |
| ▸ | HTR3C | Q8WXA8 | 3/20 | 0.46 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL4523736 | 0.98 | LMNA (0.61) | LMNAKDM4EALDH1A1HTR6ADRB1 | |
| SCHEMBL532144 | 0.92 | ALDH1A1 (0.69) | LMNAKDM4EALDH1A1HTR6ADRB1 | |
| Piperazine SCHEMBL27980528 | 0.90 | ALDH1A1 (0.67) | LMNAKDM4EALDH1A1HTR6ADRB1 | |
| Hydrochloric Acid SCHEMBL20482315 | 0.90 | KDM4E (0.67) | LMNAKDM4EALDH1A1HTR6ADRB1 | |
| SCHEMBL12826096 | 0.83 | LMNA (0.59) | LMNAALDH1A1AKR1C3GPR119MAPK1 | |
| SCHEMBL1970481 | 0.81 | LMNA (0.58) | LMNAKDM4EALDH1A1AKR1C3GPR119 | |
| SCHEMBL3485771 | 0.77 | GPR119 (0.64) | LMNAKDM4EALDH1A1HTR6AKR1C3 | |
| Bromide SCHEMBL10408560 | 0.77 | ALDH1A1 (0.96) | LMNAKDM4EALDH1A1HTR6ADRB1 | |
| Hydrochloric Acid SCHEMBL3626771 | 0.77 | HTR6 (0.55) | LMNAHTR6 | |
| SCHEMBL82301 | 0.76 | ADRB1 (0.85) | LMNAKDM4EALDH1A1HTR6ADRB1 |
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-2048142-A2 | Nitrogen-containing condensed cyclic compound having a pyrazolyl group as a substituent group and pharmaceutical composition thereof | Eisai R&D Management Co., Ltd. (JP) | 2009-04-15 | — | — | EP | disclosed |
| EP-1382603-B1 | NITROGENOUS FUSED-RING COMPOUND HAVING PYRAZOLYL GROUP AS SUBSTITUENT AND MEDICINAL COMPOSITION THEREOF | EISAI R&D MAN CO LTD (JP) | 2008-07-23 | — | — | EP | disclosed |
| US-7074801-B1 | Nitrogen-containing condensed cyclic compound having a pyrazolyl group as a substituent group and pharmaceutical composition thereof | EISAI CO., LTD. (JP) | 2006-07-11 | — | — | US | disclosed |
| EP-1382603-A1 | NITROGENOUS FUSED−RING COMPOUND HAVING PYRAZOLYL GROUP AS SUBSTITUENT AND MEDICINAL COMPOSITION THEREOF | Eisai Co., Ltd. (JP) | 2004-01-21 | — | — | EP | disclosed |