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 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CA | P42336 | 18/20 | 0.85 |
| ▸ | MTOR | P42345 | 5/20 | 0.58 |
| ▸ | AKT1 | P31749 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL394539 | 0.99 | PIK3CA (0.87) | PIK3CAMTORAKT1 | |
| Bromide SCHEMBL3727618 | 0.93 | PIK3CA (0.98) | PIK3CAMTOR | |
| Bromide SCHEMBL392496 | 0.93 | PIK3CA (0.98) | PIK3CAMTOR | |
| Bromide SCHEMBL392497 | 0.93 | PIK3CA (0.98) | PIK3CAMTOR | |
| SCHEMBL3328794 | 0.92 | PIK3CA (1.00) | PIK3CAMTOR | |
| SCHEMBL7919884 | 0.92 | PIK3CA (1.00) | PIK3CAMTOR | |
| SCHEMBL14306580 | 0.90 | PIK3CA (0.88) | PIK3CAMTOR | |
| SCHEMBL1899656 | 0.88 | PIK3CA (0.82) | PIK3CAMTOR | |
| SCHEMBL1993484 | 0.88 | PIK3CA (0.82) | PIK3CAMTOR | |
| SCHEMBL8205591 | 0.87 | PIK3CA (0.80) | PIK3CAMTOR |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20130343988-A1 | Pyrido [2, 3-D] pyrimidin-7-one compounds as inhibitors of P13K-Alpha for the treament of cancer | EXELIXIS, INC. (US) | 2013-12-26 | — | — | US | disclosed |
| EP-2142544-B1 | PYRIDO [2, 3-D]PYRIMIDIN-7-ONE COMPOUNDS AS INHIBITORS OF PI3K-ALPHA FOR THE TREATMENT OF CANCER | EXELIXIS INC (US) | 2013-05-22 | — | — | EP | disclosed |
| US-20100209340-A1 | PYRIDO [2, 3-D] PYRIMIDIN-7-ONE COMPOUNDS AS INHIBITORS OF P13K-ALPHA FOR THE TREATMENT OF CANCER | EXELIXIS, INC. | 2010-08-19 | — | — | US | 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-20130343988-A1 | Pyrido [2, 3-D] pyrimidin-7-one compounds as inhibitors of P13K-Alpha for the treament of cancer | CDKN1A, MAP3K3, CCNK | PIK3CA 58/4885MTOR 571/4885AKT1 236/4885 |
| US-20100209340-A1 | PYRIDO [2, 3-D] PYRIMIDIN-7-ONE COMPOUNDS AS INHIBITORS OF P13K-ALPHA FOR THE TREATMENT OF CANCER | CDKN1A, CCNK, MAP3K3 | PIK3CA 51/4885MTOR 612/4885AKT1 198/4885 |
“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.