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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.47 |
| ▸ | HTT | P42858 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | APAF1 | O14727 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.47 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.47 |
| ▸ | FDPS | P14324 | 4/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | PON1 | P27169 | 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 | |
|---|---|---|---|---|
| Bromide SCHEMBL1330069 | 1.00 | SMN1; SMN2 (0.47) | SMN1; SMN2HTTMEN1APAF1NPC1 | |
| SCHEMBL60789 | 0.98 | SMN1; SMN2 (0.48) | SMN1; SMN2HTTMEN1APAF1NPC1 | |
| SCHEMBL8169330 | 0.98 | SMN1; SMN2 (0.48) | SMN1; SMN2HTTMEN1APAF1NPC1 | |
| SCHEMBL6750309 | 0.98 | SMN1; SMN2 (0.48) | SMN1; SMN2HTTMEN1APAF1NPC1 | |
| SCHEMBL9931725 | 0.98 | SMN1; SMN2 (0.48) | SMN1; SMN2HTTMEN1APAF1NPC1 | |
| SCHEMBL14859660 | 0.98 | SMN1; SMN2 (0.48) | SMN1; SMN2HTTMEN1APAF1NPC1 | |
| Methane SCHEMBL4952442 | 0.96 | SMN1; SMN2 (0.47) | SMN1; SMN2HTTMEN1APAF1NPC1 | |
| SCHEMBL2393374 | 0.96 | SMN1; SMN2 (0.47) | SMN1; SMN2HTTMEN1APAF1NPC1 | |
| Ethane SCHEMBL4952391 | 0.96 | SMN1; SMN2 (0.47) | SMN1; SMN2HTTMEN1APAF1NPC1 | |
| Propane SCHEMBL4952704 | 0.96 | SMN1; SMN2 (0.47) | SMN1; SMN2HTTMEN1APAF1NPC1 |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2439208-A1 | Method of preparing organometallic compounds | Rohm and Haas Company (US) | 2012-04-11 | — | — | EP | disclosed |
| US-8101787-B2 | Method of preparing organometallic compounds | ROHM AND HAAS COMPANY (US) | 2012-01-24 | — | — | US | disclosed |
| EP-2359923-A1 | Method of preparing organometallic compounds | Rohm and Haas Company (US) | 2011-08-24 | — | — | EP | disclosed |
| EP-2359922-A1 | Method of preparing organometallic compounds | Rohm and Haas Company (US) | 2011-08-24 | — | — | EP | disclosed |
| US-7939684-B2 | Method of preparing organometallic compounds | ROHM AND HAAS COMPANY (US) | 2011-05-10 | — | — | US | disclosed |
| US-7919638-B2 | Method of preparing organometallic compounds | ROHM AND HAAS COMPANY (US) | 2011-04-05 | — | — | US | disclosed |
| US-20100185003-A1 | Method of Preparing Organometallic Compounds | ROHM AND HAAS COMPANY (US) | 2010-07-22 | — | — | US | disclosed |
| US-20100185002-A1 | Method of Preparing Organometallic Compounds | ROHM AND HAAS COMPANY (US) | 2010-07-22 | — | — | US | disclosed |
| US-7659414-B2 | Method of preparing organometallic compounds | ROHM AND HAAS COMPANY (US) | 2010-02-09 | — | — | US | disclosed |
| EP-2020258-A2 | Method Of Preparing Organometallic Compounds | Rohm and Haas Company (US) | 2009-02-04 | — | — | EP | disclosed |
| US-20090023940-A1 | Method of preparing organometallic compounds | ROHM AND HAAS COMPANY | 2009-01-22 | — | — | US | disclosed |