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 | |
|---|---|---|---|---|
| ▸ | BCL2 | P10415 | 1/20 | 0.43 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.43 |
| ▸ | SRC | P12931 | 5/20 | 0.41 |
| ▸ | PRKACA | P17612 | 4/20 | 0.40 |
| ▸ | PRKACG | P22612 | 4/20 | 0.40 |
| ▸ | PRKACB | P22694 | 4/20 | 0.40 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.36 |
| ▸ | PARP1 | P09874 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | PNP | P00491 | 1/20 | 0.33 |
| ▸ | TERT | O14746 | 1/20 | 0.33 |
| ▸ | QPCT | Q16769 | 1/20 | 0.33 |
| ▸ | QPCTL | Q9NXS2 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | PRNP | P04156 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL4565100 | 0.98 | BCL2 (0.44) | BCL2MCL1SRCPRKACAPRKACG | |
| SCHEMBL1805702 | 0.80 | QPCT (0.39) | BCL2MCL1SRCQPCTALDH1A1 | |
| SCHEMBL4371995 | 0.79 | CYP3A4 (0.40) | BCL2MCL1GPR35PARP1LMNA | |
| SCHEMBL1663176 | 0.76 | LMNA (0.51) | PARP1LMNAMEN1KMT2APOLB | |
| SCHEMBL2574527 | 0.76 | LMNA (0.57) | PARP1LMNAMEN1KMT2APOLB | |
| SCHEMBL8934855 | 0.74 | MAPT (0.53) | PARP1MEN1KMT2APNPALDH1A1 | |
| SCHEMBL3429702 | 0.74 | MAPT (0.43) | BCL2MCL1PARP1MEN1KMT2A | |
| SCHEMBL22962863 | 0.74 | PARP1 (0.41) | PARP1MEN1KMT2APNPALDH1A1 | |
| SCHEMBL29258736 | 0.72 | PDE3B (0.44) | PARP1LMNAMEN1KMT2APOLB | |
| SCHEMBL30882780 | 0.72 | PDE3B (0.44) | PARP1LMNAMEN1KMT2APOLB |
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-7960545-B2 | Process for the prepartion of erlotinib | NATCO PHARMA LIMITED (IN) | 2011-06-14 | — | — | US | disclosed |
| EP-0782570-A1 | SUBSTITUTED HETEROAROMATIC COMPOUNDS AND THEIR USE IN MEDICINE | THE WELLCOME FOUNDATION LIMITED (GB) | 1997-07-09 | — | — | EP | disclosed |
| WO-1996009294-A1 | SUBSTITUTED HETEROAROMATIC COMPOUNDS AND THEIR USE IN MEDICINE | THE WELLCOME FOUNDATION LIMITED (GB) | 1996-03-28 | — | — | WO | disclosed |