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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 10/20 | 0.50 |
| ▸ | MAPT | P10636 | 4/20 | 0.43 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.43 |
| ▸ | XDH | P47989 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 4/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | GLA | P06280 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | RECQL | P46063 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7318796 | 0.99 | ALDH1A1 (0.51) | ALDH1A1MAPTADORA3XDHLMNA | |
| Bromide SCHEMBL7142006 | 0.92 | CYP2C19 (0.43) | ALDH1A1MAPTXDHLMNAHPGD | |
| SCHEMBL10922397 | 0.90 | CYP2C19 (0.44) | ALDH1A1MAPTXDHLMNAHPGD | |
| Hydrochloric Acid SCHEMBL7291893 | 0.89 | CYP2C19 (0.43) | ALDH1A1MAPTXDHLMNAHPGD | |
| SCHEMBL8804527 | 0.86 | ALDH1A1 (0.52) | ALDH1A1MAPTADORA3XDHLMNA | |
| SCHEMBL7318656 | 0.85 | ALDH1A1 (0.51) | ALDH1A1MAPTADORA3XDHLMNA | |
| SCHEMBL10924999 | 0.77 | CYP2C19 (0.45) | ALDH1A1MAPTXDHLMNAHPGD | |
| SCHEMBL3785984 | 0.76 | GAA (0.47) | ALDH1A1MAPTXDHLMNAHPGD | |
| Bromide SCHEMBL9382360 | 0.73 | KDM4E (0.43) | ALDH1A1HPGDKDM4EHSD17B10POLB | |
| SCHEMBL10842334 | 0.71 | ALDH1A1 (0.58) | ALDH1A1MAPTLMNAHPGDKDM4E |
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 19 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5126339-A | Antihistamine, antiserotonine | JANSSEN PHARMACEUTICA N.V. (BE) | 1992-06-30 | — | — | US | disclosed |
| US-5025014-A | Antiallergens | JANSSEN PHARMACEUTICA N.V. (BE) | 1991-06-18 | — | — | US | disclosed |
| US-5015740-A | Psychological disorders | JANSSEN PHARMACEUTICA N.V. (BE) | 1991-05-14 | — | — | US | disclosed |
| US-4957916-A | DISORDERS CONNECTED WITH DOPAMINE AND/OR SEROTONIN RELEASE | JANSSEN PHARMACEUTICA N.V. (BE) | 1990-09-18 | — | — | US | disclosed |
| US-4888426-A | CHEMICAL INTERMEDIATES | JANSSEN PHARMACEUTICA N.V. (BE) | 1989-12-19 | — | — | US | disclosed |
| US-4839374-A | TREATING ALLERGIES | JANSSEN PHARMACEUTICA, N.V. (BE) | 1989-06-13 | — | — | US | disclosed |
| EP-0110435-B1 | NOVEL ((BIS(ARYL)METHYLENE)-1-PIPERIDINYL)ALKYL-PYRIMIDINONES | JANSSEN PHARMACEUTICA N.V. (BE) | 1989-01-04 | — | — | EP | disclosed |
| US-4695569-A | ANTIALLERGENS | JANSSEN PHARMACEUTICA N.V. (BE) | 1987-09-22 | — | — | US | disclosed |
| US-4695575-A | ANTIHISTAMINES | JANSSEN PHARMACEUTICA, N.V. (BE) | 1987-09-22 | — | — | US | disclosed |
| US-4581171-A | ANTISEROTONINE AGENTS | JANSSEN PHARMACEUTICA, N.V. (BE) | 1986-04-08 | — | — | US | disclosed |
| US-4548938-A | PSYCHOTROPIC AGENTS | JANSSEN PHARMACEUTICA N.V. (BE) | 1985-10-22 | — | — | US | disclosed |
| EP-0151826-A1 | 4-[(Bicyclic heterocyclyl)-methyl and -hetero]-piperidines | JANSSEN PHARMACEUTICA N.V. (BE) | 1985-08-21 | — | — | EP | disclosed |
| US-4533665-A | SEROTONIN ANTAGONIST | JANSSEN PHARMACEUTICA (BE) | 1985-08-06 | — | — | US | disclosed |
| US-4529727-A | Pyrimido[2,1-b][1,3]-thiazines | JANSSEN PHARMACEUTICAL, N.V. (BE) | 1985-07-16 | — | — | US | disclosed |
| EP-0144101-A2 | Bicyclic heterocyclyl containing N-(bicyclic heterocyclyl)-4-piperidinamines | JANSSEN PHARMACEUTICA N.V. (BE) | 1985-06-12 | — | — | EP | disclosed |
| US-4485107-A | SEDATIVES, MUSCLE RELAXANTS | JANSSEN PHARMACEUTICA N.V. (BE) | 1984-11-27 | — | — | US | disclosed |
| EP-0110435-A1 | Novel ((bis(aryl)methylene)-1-piperidinyl)alkyl-pyrimidinones | JANSSEN PHARMACEUTICA N.V. (BE) | 1984-06-13 | — | — | EP | disclosed |
| US-4443451-A | PSYCHOTROPIC, ANTIHISTAMINES, ANTISEROTONINE | JANSSEN PHARMACEUTICA N.V. (BE) | 1984-04-17 | — | — | US | disclosed |
| EP-0070053-A2 | Novel bicyclic pyrimidin-5-one derivatives | JANSSEN PHARMACEUTICA N.V. (BE) | 1983-01-19 | — | — | EP | disclosed |