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 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MIF | P14174 | 5/20 | 0.57 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.57 |
| ▸ | HPGD | P15428 | 1/20 | 0.57 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.44 |
| ▸ | CHRNB2 | P17787 | 3/20 | 0.43 |
| ▸ | CHRNA4 | P43681 | 3/20 | 0.43 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.42 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL1027113 | 0.98 | MIF (0.59) | MIFTRPA1ALDH1A1CYP3A4HPGD | |
| SCHEMBL16167770 | 0.80 | MIF (0.61) | MIFTRPA1CHRNA7CYP2A6TDP1 | |
| SCHEMBL856127 | 0.79 | CHRNB2 (0.48) | CYP3A4CYP1A2CYP2D6CHRNA7CHRNB2 | |
| SCHEMBL30142989 | 0.79 | CHRNB2 (0.48) | CYP3A4CYP1A2CYP2D6CHRNA7CHRNB2 | |
| SCHEMBL3936550 | 0.78 | CYP1A2 (0.58) | ALDH1A1CYP1A2CYP2D6CHRNA7CHRNB2 | |
| SCHEMBL18595398 | 0.76 | NAAA (0.43) | MIFTRPA1ALDH1A1CYP3A4HPGD | |
| SCHEMBL2917458 | 0.74 | MIF (0.61) | MIFTRPA1ALDH1A1CYP3A4HPGD | |
| Benzyl Isothiocyanate SCHEMBL44145 | 0.73 | MIF (1.00) | MIFTRPA1ALDH1A1CYP3A4HPGD | |
| Benzyl Isothiocyanate SCHEMBL27789925 | 0.73 | MIF (1.00) | MIFTRPA1ALDH1A1CYP3A4HPGD | |
| SCHEMBL8404150 | 0.73 | CHRNB2 (0.52) | ALDH1A1CYP1A2CYP2D6CHRNA7CHRNB2 |
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 18 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1465882-B1 | HETROCYCLIC MODULATORS OF NUCLEAR RECEPTORS | X CEPTOR THERAPEUTICS INC (US) | 2011-08-24 | — | — | EP | disclosed |
| US-7115640-B2 | Heterocyclic modulators of nuclear receptors | X-CEPTOR THERAPEUTICS, INC. (US) | 2006-10-03 | — | — | US | disclosed |
| EP-1465882-A4 | HETROCYCLIC MODULATORS OF NUCLEAR RECEPTORS | X CEPTOR THERAPEUTICS INC (US) | 2005-04-06 | — | — | EP | disclosed |
| EP-1465882-A2 | HETROCYCLIC MODULATORS OF NUCLEAR RECEPTORS | X-Ceptor Therapeutics, Inc. (US) | 2004-10-13 | — | — | EP | disclosed |
| US-20040180942-A1 | Heterocyclic modulators of nuclear receptors | X-CEPTOR THERAPEUTICS, INC. | 2004-09-16 | — | — | US | disclosed |
| US-6696473-B2 | THIAZOLIDINONE DERIVATIVES; MODULATING CHOLESTEROL METABOLISM | X-CEPTOR THERAPEUTICS, INC. | 2004-02-24 | — | — | US | disclosed |
| WO-2003060078-A9 | HETEROCYCLIC MODULATORS OF NUCLEAR RECEPTORS | X CEPTOR THERAPEUTICS INC (US) | 2004-02-19 | — | — | WO | disclosed |
| US-6653478-B2 | Psychological disorders; hypotensive agents | ORTHO-MCNEIL PHARMACEUTICAL, INC. | 2003-11-25 | — | — | US | disclosed |
| US-20030212111-A1 | Heterocyclic modulators of nuclear receptors | AKARNA THERAPEUTICS, LTD. (GB) | 2003-11-13 | — | — | US | disclosed |
| EP-1330451-A2 | SUBSTITUTED BENZIMIDAZOL-2-ONES AS VASOPRESSIN RECEPTOR ANTAGONISTS AND NEUROPEPTIDE Y MODULATORS | Ortho-McNeil Pharmaceutical, Inc. (US) | 2003-07-30 | — | — | EP | disclosed |
| WO-2003060078-A2 | HETEROCYCLIC MODULATORS OF NUCLEAR RECEPTORS | X-CEPTOR THERAPEUTICS, INC. (US) | 2003-07-24 | — | — | WO | disclosed |
| US-20030073842-A1 | Novel substituted benzimidazol-2-ones as vasopressin receptor antagonists and neuropeptide Y modulators | ORTHO-MCNEIL PHARMACEUTICAL, INC. | 2003-04-17 | — | — | US | disclosed |
| US-6423716-B1 | Nitrogenous heterocyclic compounds | KYOWA HAKKO KOGYO CO., LTD. (JP) | 2002-07-23 | — | — | US | disclosed |
| WO-2002055514-A2 | SUBSTITUTED BENZIMIDAZOL-2-ONES AS VASOPRESSIN RECEPTOR ANTAGONISTS AND NEUROPEPTIDE Y MODULATORS | ORTHO MCNEIL PHARM INC (US) | 2002-07-18 | — | — | WO | disclosed |
| EP-1067123-A1 | NITROGENOUS HETEROCYCLIC COMPOUNDS | KYOWA HAKKO KOGYO CO., LTD. (JP) | 2001-01-10 | — | — | EP | disclosed |
| EP-0509769-B1 | Heterocyclic amides having HLE inhibiting activity | ZENECA LTD (GB) | 1996-09-11 | — | — | EP | disclosed |
| US-5521179-A | Heterocyclic amides | ZENECA LIMITED (GB) | 1996-05-28 | — | — | US | disclosed |
| EP-0509769-A2 | Heterocyclic amides having HLE inhibiting activity | ZENECA LIMITED (GB) | 1992-10-21 | — | — | EP | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20040180942-A1 | Heterocyclic modulators of nuclear receptors | NR1H2, NR1H3, NR1H4 | MIF 3310/4885TRPA1 797/4885ALDH1A1 2884/4885 |
| US-20030073842-A1 | Novel substituted benzimidazol-2-ones as vasopressin receptor antagonists and neuropeptide Y modulators | AVPR2, NPY1R, AVPR1B | MIF 1570/4885TRPA1 2795/4885ALDH1A1 3058/4885 |
| US-20030212111-A1 | Heterocyclic modulators of nuclear receptors | NR1H2, NR1H3, NR1H4 | MIF 3310/4885TRPA1 797/4885ALDH1A1 2884/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.