Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.35 |
| ▸ | NOS3 | P29474 | 2/20 | 0.34 |
| ▸ | NOS2 | P35228 | 2/20 | 0.34 |
| ▸ | NOS1 | P29475 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.31 |
| ▸ | SORD | Q00796 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | CRHBP | P24387 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL17915874 | 0.80 | NOS3 (0.43) | ESR1NOS3NOS2NOS1CYP3A4 | |
| SCHEMBL4489329 | 0.80 | NOS3 (0.43) | ESR1NOS3NOS2CYP3A4 | |
| SCHEMBL18068052 | 0.78 | ESR1 (0.36) | ESR1NOS3NOS2NOS1CYP3A4 | |
| SCHEMBL22431506 | 0.76 | ESR1 (0.35) | ESR1NOS3NOS2NOS1CYP3A4 | |
| SCHEMBL19250367 | 0.76 | ESR1 (0.35) | ESR1NOS3NOS2NOS1CYP3A4 | |
| SCHEMBL13883322 | 0.76 | ESR1 (0.35) | ESR1NOS3NOS2NOS1CYP3A4 | |
| SCHEMBL13883351 | 0.74 | MEN1 (0.42) | ALOX15TSHR | |
| SCHEMBL9662963 | 0.74 | NOS3 (0.39) | ESR1NOS3NOS2CYP3A4 | |
| SCHEMBL21350417 | 0.73 | ESR1 (0.36) | ESR1NOS3NOS2NOS1SORD | |
| SCHEMBL21091616 | 0.73 | NOS3 (0.39) | ESR1NOS3NOS2NOS1CYP3A4 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20170233392-A1 | HETEROARYLENE-BRIDGED BENZODIAZEPINE DIMERS, CONJUGATES THEREOF, AND METHODS OF MAKING AND USING | BRISTOL-MYERS SQUIBB COMPANY | 2017-08-17 | — | — | 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 (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-20170233392-A1 | HETEROARYLENE-BRIDGED BENZODIAZEPINE DIMERS, CONJUGATES THEREOF, AND METHODS OF MAKING AND USING | GABRA1, GABRA2, GABRA3 | ESR1 432/4885NOS3 4441/4885NOS2 4371/4885 |
“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.