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 | |
|---|---|---|---|---|
| ▸ | ADRB1 known ✓ | P08588 | 4/20 | 0.96 |
| ▸ | HTR1A known ✓ | P08908 | 3/20 | 0.63 |
| ▸ | HTR3A known ✓ | P46098 | 2/20 | 0.63 |
| ▸ | HTR1D known ✓ | P28221 | 1/20 | 0.51 |
| ▸ | HTR1B known ✓ | P28222 | 1/20 | 0.51 |
| ▸ | SIGMAR1 known ✓ | Q99720 | 1/20 | 0.51 |
| ▸ | DRD2 | P14416 | 8/20 | 0.96 |
| ▸ | DRD3 | P35462 | 8/20 | 0.96 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.63 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.63 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.63 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.63 |
| ▸ | DRD4 | P21917 | 2/20 | 0.61 |
| ▸ | HTR2A | P28223 | 2/20 | 0.61 |
| ▸ | HTR2C | P28335 | 1/20 | 0.61 |
| ▸ | HTR6 | P50406 | 3/20 | 0.51 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.51 |
| ▸ | HTR3B | O95264 | 1/20 | 0.51 |
| ▸ | NCF1 | P14598 | 1/20 | 0.51 |
| ▸ | TSHR | P16473 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL6352699 | 0.98 | DRD2 (1.00) | DRD2DRD3ADRB1HTR1ACYP1A2 | |
| SCHEMBL29367982 | 0.98 | DRD2 (1.00) | DRD2DRD3ADRB1HTR1ACYP1A2 | |
| SCHEMBL8511 | 0.98 | DRD2 (1.00) | DRD2DRD3ADRB1HTR1ACYP1A2 | |
| Hydrochloric Acid SCHEMBL246338 | 0.96 | DRD2 (0.96) | DRD2DRD3ADRB1HTR1ACYP1A2 | |
| Hydrochloric Acid SCHEMBL29470848 | 0.96 | DRD2 (0.96) | DRD2DRD3ADRB1HTR1ACYP1A2 | |
| Hydrochloric Acid SCHEMBL2217039 | 0.96 | DRD2 (0.96) | DRD2DRD3ADRB1HTR1ACYP1A2 | |
| Piperazine SCHEMBL28251276 | 0.96 | DRD2 (0.96) | DRD2DRD3ADRB1HTR1ACYP1A2 | |
| Piperazine SCHEMBL28169968 | 0.95 | DRD2 (0.93) | DRD2DRD3ADRB1HTR1ACYP1A2 | |
| SCHEMBL3609605 | 0.91 | DRD2 (0.87) | DRD2DRD3ADRB1HTR1ACYP1A2 | |
| Hydrochloric Acid SCHEMBL253371 | 0.90 | DRD2 (0.84) | DRD2DRD3ADRB1HTR1ACYP1A2 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110128336-A | A kind of preparation method of Aripiprazole | 岳阳新华达制药有限公司 | 2019-08-16 | — | — | CN | claimed |
| CN-110128336-A | A kind of preparation method of Aripiprazole | 岳阳新华达制药有限公司 | 2019-08-16 | — | — | CN | disclosed |
| US-7872132-B2 | Intermediates useful for the preparation of aripiprazole and methods for the preparation of the novel intermediates and aripiprazole | SUVEN LIFE SCIENCES LIMITED (IN) | 2011-01-18 | — | — | US | disclosed |
| US-20090203907-A1 | Novel intermediates useful for the preparation of aripiprazole and methods for the preparation of the novel intermediates and aripiprazole | SUVEN LIFE SCIENCES LIMITED (IN) | 2009-08-13 | — | — | US | disclosed |
| EP-1812395-B1 | METHOD FOR THE PREPARATION OF ARIPIPRAZOLE, AND CORRESPONDING INTERMEDIATES AND THEIR PREPARATION | SUVEN LIFE SCIENCES LTD (IN) | 2008-05-21 | — | — | EP | disclosed |
| EP-1812395-A1 | METHOD FOR THE PREPARATION OF ARIPIPRAZOLE, AND CORRESPONDING INTERMEDIATES AND THEIR PREPARATION | Suven Life Sciences Limited (IN) | 2007-08-01 | — | — | EP | disclosed |
| WO-2006038220-A1 | NOVEL INTERMEDIATES USEFUL FOR THE PREPARATION OF ARIPIPRAZOLE AND METHODS FOR THE PREPARATION OF THE NOVEL INTERMEDIATES AND ARIPIPRAZOLE | SUVEN LIFE SCIENCES LIMITED (IN) | 2006-04-13 | — | — | 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 (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-20090203907-A1 | Novel intermediates useful for the preparation of aripiprazole and methods for the preparation of the novel intermediates and aripiprazole | CYP2J2, CYP2B6, CYP2C19 | ADRB1 453/4885HTR1A 19/4885HTR3A 43/4885 |
“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.