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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDC7 | O00311 | 4/20 | 0.59 |
| ▸ | DBF4 | Q9UBU7 | 4/20 | 0.59 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.58 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.58 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.58 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.55 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.55 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.54 |
| ▸ | HPGD | P15428 | 1/20 | 0.53 |
| ▸ | DHODH | Q02127 | 6/20 | 0.51 |
| ▸ | MEN1 | O00255 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.51 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.50 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.50 |
| ▸ | GSTO1 | P78417 | 1/20 | 0.48 |
| ▸ | RARA | P10276 | 1/20 | 0.47 |
| ▸ | RARB | P10826 | 1/20 | 0.47 |
| ▸ | RARG | P13631 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL952128 | 0.87 | CDC7 (0.58) | CDC7DBF4CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL955147 | 0.86 | CDC7 (0.57) | CDC7DBF4CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL952456 | 0.86 | CDC7 (0.51) | CDC7DBF4CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL952124 | 0.84 | CDK2 (0.53) | CDC7DBF4CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL954595 | 0.84 | CDC7 (0.59) | CDC7DBF4CYP1A2CYP2C9CYP2C19 | |
| Hydrochloric Acid SCHEMBL953025 | 0.83 | CDK2 (0.52) | CDC7DBF4CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL952127 | 0.80 | CDC7 (0.50) | CDC7DBF4CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL4503056 | 0.80 | CDC7 (0.88) | CDC7DBF4CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL956183 | 0.79 | CDC7 (0.56) | CDC7DBF4CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL954248 | 0.79 | CDC7 (0.48) | CDC7DBF4CYP1A2CYP2C9CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| US-9139589-B2 | Heteroaryls and uses thereof | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2015-09-22 | — | — | US | disclosed |
| US-9090601-B2 | Thiazole derivatives | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2015-07-28 | — | — | US | disclosed |
| EP-2391619-A1 | HETEROARYLS AND THEIR USE AS PI3K INHIBITORS | Millennium Pharmaceuticals, Inc. (US) | 2011-12-07 | — | — | EP | disclosed |
| US-20110003807-A1 | Thiazole derivatives | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2011-01-06 | — | — | US | disclosed |
| US-20110003806-A1 | Heteroaryls and uses thereof | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2011-01-06 | — | — | US | disclosed |
| WO-2010090716-A1 | HETEROARYLS AND THEIR USE AS PI3K INHIBITORS | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2010-08-12 | — | — | 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 (2 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-20110003807-A1 | Thiazole derivatives | MTOR, RICTOR, AKT2 | CDC7 601/4885DBF4 3288/4885CYP1A2 1643/4885 |
| US-20110003806-A1 | Heteroaryls and uses thereof | RICTOR, MTOR, AKT1S1 | CDC7 1063/4885DBF4 3779/4885CYP1A2 224/4885 |
“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.