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 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 17/20 | 1.00 |
| ▸ | NOS1 | P29475 | 3/20 | 0.75 |
| ▸ | NOS3 | P29474 | 2/20 | 0.61 |
| ▸ | NOS2 | P35228 | 2/20 | 0.61 |
| ▸ | SLC11A2 | P49281 | 1/20 | 0.57 |
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 | |
|---|---|---|---|---|
| SCHEMBL3779731 | 0.98 | IDO1 (1.00) | IDO1NOS1NOS3NOS2SLC11A2 | |
| SCHEMBL5450413 | 0.87 | NOS1 (1.00) | IDO1NOS1NOS3NOS2SLC11A2 | |
| SCHEMBL9198311 | 0.80 | NOS1 (0.81) | IDO1NOS1NOS3NOS2 | |
| Bromide SCHEMBL5042180 | 0.79 | IDO1 (0.96) | IDO1NOS1NOS3NOS2 | |
| Bromide SCHEMBL4910420 | 0.79 | IDO1 (0.96) | IDO1NOS1NOS3NOS2SLC11A2 | |
| SCHEMBL27985303 | 0.79 | IDO1 (0.68) | IDO1NOS1NOS3NOS2 | |
| Benzyl Carbamimidothioate SCHEMBL4911682 | 0.78 | IDO1 (1.00) | IDO1NOS1NOS3NOS2SLC11A2 | |
| Benzyl Carbamimidothioate SCHEMBL14576763 | 0.78 | IDO1 (1.00) | IDO1NOS1NOS3NOS2SLC11A2 | |
| Bromide SCHEMBL22263116 | 0.77 | IDO1 (0.62) | IDO1NOS1NOS3NOS2SLC11A2 | |
| SCHEMBL20677830 | 0.77 | SLC11A2 (0.76) | IDO1NOS1NOS3NOS2SLC11A2 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102827082-B | Thienopyrazole derivative having PDE7 inhibitory activity | DAIICHI SANKYO CO LTD | 2015-01-07 | — | — | CN | disclosed |
| US-8901315-B2 | Thienopyrazole derivative having PDE7 inhibitory activity | DAIICHI SANKYO COMPANY, LIMITED (JP) | 2014-12-02 | — | — | US | disclosed |
| US-20140073799-A1 | THIENOPYRAZOLE DERIVATIVE HAVING PDE7 INHIBITORY ACTIVITY | DAIICHI SANKYO COMPANY, LIMITED (JP) | 2014-03-13 | — | — | US | disclosed |
| EP-1775298-B1 | THIENOPYRAZOLE DERIVATIVE HAVING PDE7 INHIBITORY ACTIVITY | DAIICHI SANKYO CO LTD (JP) | 2013-03-20 | — | — | EP | disclosed |
| EP-2433943-A1 | Thienopyrazole derivatives having PDE7 inhibitory activity | Daiichi Sankyo Company, Limited (JP) | 2012-03-28 | — | — | EP | disclosed |
| EP-1775298-A1 | THIENOPYRAZOLE DERIVATIVE HAVING PDE7 INHIBITORY ACTIVITY | Daiichi Asubio Pharma Co., Ltd. (JP) | 2007-04-18 | — | — | 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 (1 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-20140073799-A1 | THIENOPYRAZOLE DERIVATIVE HAVING PDE7 INHIBITORY ACTIVITY | PDE7A, PDE7B, PDE3B | IDO1 1810/4885NOS1 264/4885NOS3 126/4885 |
“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.