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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.71 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.71 |
| ▸ | GAA | P10253 | 4/20 | 0.54 |
| ▸ | HPGD | P15428 | 4/20 | 0.53 |
| ▸ | MAPT | P10636 | 5/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.49 |
| ▸ | FHIT | P49789 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.48 |
| ▸ | MEN1 | O00255 | 3/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.48 |
| ▸ | RAB9A | P51151 | 4/20 | 0.47 |
| ▸ | NPC1 | O15118 | 3/20 | 0.47 |
| ▸ | FBP1 | P09467 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | RECQL | P46063 | 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 | |
|---|---|---|---|---|
| SCHEMBL289441 | 0.98 | ALDH1A1 (0.73) | ALDH1A1CYP1A2GAAHPGDMAPT | |
| SCHEMBL3119761 | 0.83 | ALDH1A1 (1.00) | ALDH1A1CYP1A2GAAHPGDMAPT | |
| SCHEMBL31661235 | 0.81 | ALDH1A1 (0.69) | ALDH1A1CYP1A2GAAHPGDMAPT | |
| SCHEMBL3056715 | 0.81 | ALDH1A1 (0.69) | ALDH1A1CYP1A2GAAHPGDMAPT | |
| SCHEMBL960280 | 0.81 | ALDH1A1 (0.69) | ALDH1A1CYP1A2GAAHPGDMAPT | |
| SCHEMBL595150 | 0.81 | ALDH1A1 (0.69) | ALDH1A1CYP1A2GAAHPGDMAPT | |
| SCHEMBL12228834 | 0.81 | ALDH1A1 (0.69) | ALDH1A1CYP1A2GAAHPGDMAPT | |
| SCHEMBL4146195 | 0.81 | FBP1 (0.67) | ALDH1A1CYP1A2GAAHPGDKMT2A | |
| SCHEMBL2616832 | 0.80 | GAA (0.58) | ALDH1A1CYP1A2GAAHPGDMAPT | |
| SCHEMBL794531 | 0.80 | ALDH1A1 (0.55) | ALDH1A1CYP1A2GAAHPGDMAPT |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10647731-B2 | Thiazolopyrimidinones and methods of use thereof | GENENTECH, INC. (US) | 2020-05-12 | — | — | US | disclosed |
| EP-3415519-A1 | THIAZOLOPYRIMIDINONES AS MODULATORS OF NMDA RECEPTOR ACTIVITY | F. Hoffmann-La Roche AG (CH) | 2018-12-19 | — | — | EP | disclosed |
| US-20180244694-A1 | THIAZOLOPYRIMIDINONES AND METHODS OF USE THEREOF | GENENTECH, INC. (US) | 2018-08-30 | — | — | US | disclosed |
| EP-3055315-B1 | THIAZOLOPYRIMIDINONES AS MODULATORS OF NMDA RECEPTOR ACTIVITY | HOFFMANN LA ROCHE (CH) | 2018-07-25 | — | — | EP | disclosed |
| US-9988400-B2 | Thiazolopyrimidinones and methods of use thereof | GENENTECH, INC. (US) | 2018-06-05 | — | — | US | disclosed |
| EP-3055315-A1 | THIAZOLOPYRIMIDINONES AS MODULATORS OF NMDA RECEPTOR ACTIVITY | F. Hoffmann-La Roche AG (CH) | 2016-08-17 | — | — | EP | disclosed |
| US-20160222033-A1 | THIAZOLOPYRIMIDINONES AND METHODS OF USE THEREOF | GENENTECH, INC. (US) | 2016-08-04 | — | — | US | disclosed |
| WO-2015052226-A1 | THIAZOLOPYRIMIDINONES AS MODULATORS OF NMDA RECEPTOR ACTIVITY | F. HOFFMANN-LA ROCHE AG (CH) | 2015-04-16 | — | — | WO | 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-10647731-B2 | Thiazolopyrimidinones and methods of use thereof | TPMT, THPO, CYP11B2 | ALDH1A1 159/4885CYP1A2 191/4885GAA 488/4885 |
| US-20180244694-A1 | THIAZOLOPYRIMIDINONES AND METHODS OF USE THEREOF | TPMT, THPO, CYP11B2 | ALDH1A1 159/4885CYP1A2 191/4885GAA 488/4885 |
| US-20160222033-A1 | THIAZOLOPYRIMIDINONES AND METHODS OF USE THEREOF | TPMT, THPO, CYP11B2 | ALDH1A1 159/4885CYP1A2 191/4885GAA 488/4885 |
“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.