Predicted protein targets (top 20)
| 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 |
| ▸ | PPARA | Q07869 | 1/20 | 0.34 |
| ▸ | CRHR1 | P34998 | 3/20 | 0.33 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.33 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.33 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.33 |
| ▸ | FABP4 | P15090 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | DHFR | P00374 | 2/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.31 |
| ▸ | MEN1 | O00255 | 2/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.31 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL17506423 | 0.80 | NOS3 (0.43) | ESR1NOS3NOS2CRHR1PDE4B | |
| SCHEMBL17915875 | 0.80 | NOS3 (0.43) | ESR1NOS3NOS2NOS1GABRA1 | |
| SCHEMBL13064476 | 0.80 | ESR1 (0.36) | ESR1NOS3NOS2NOS1PPARA | |
| SCHEMBL18068052 | 0.78 | ESR1 (0.36) | ESR1NOS3NOS2NOS1CRHR1 | |
| SCHEMBL13883322 | 0.76 | ESR1 (0.35) | ESR1NOS3NOS2NOS1CYP3A4 | |
| SCHEMBL19250366 | 0.76 | ESR1 (0.35) | ESR1NOS3NOS2NOS1CYP3A4 | |
| SCHEMBL22431506 | 0.76 | ESR1 (0.35) | ESR1NOS3NOS2NOS1CYP3A4 | |
| SCHEMBL4435970 | 0.75 | NOS2 (0.61) | NOS3NOS2NOS1DHFRCYP3A4 | |
| SCHEMBL25692611 | 0.75 | NOS3 (0.36) | NOS3NOS2NOS1GABRA1GABRB1 | |
| SCHEMBL15077328 | 0.74 | NOS3 (0.39) | NOS3NOS2NOS1GABRA1GABRB1 |
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-20180037581-A1 | HETEROARYLENE-BRIDGED BENZODIAZEPINE DIMERS, CONJUGATES THEREOF, AND METHODS OF MAKING AND USING | BRISTOL MYERS SQUIBB CO (US) | 2018-02-08 | — | — | US | disclosed |
| US-9822112-B2 | Heteroarylene-bridged benzodiazepine dimers, conjugates thereof, and methods of making and using | BRISTOL-MEYERS SQUIBB COMPANY (US) | 2017-11-21 | — | — | US | disclosed |
| 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 (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-20170233392-A1 | HETEROARYLENE-BRIDGED BENZODIAZEPINE DIMERS, CONJUGATES THEREOF, AND METHODS OF MAKING AND USING | GABRA1, GABRA2, GABRA3 | ESR1 432/4885NOS3 4441/4885NOS2 4371/4885 |
| US-20180037581-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.