Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AR | P10275 | 3/20 | 0.48 |
| ▸ | ERN1 | O75460 | 5/20 | 0.46 |
| ▸ | TLR2 | O60603 | 1/20 | 0.46 |
| ▸ | TLR1 | Q15399 | 1/20 | 0.46 |
| ▸ | TLR6 | Q9Y2C9 | 1/20 | 0.46 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.41 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.41 |
| ▸ | SRC | P12931 | 1/20 | 0.40 |
| ▸ | NFE2L2 | Q16236 | 2/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | MAPK3 | P27361 | 2/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.38 |
| ▸ | MAP2K1 | Q02750 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL17023571 | 0.85 | ERN1 (0.49) | ARERN1TLR2TLR1TLR6 | |
| SCHEMBL18167321 | 0.83 | ALDH1A1 (0.41) | ARERN1ALDH1A1CYP1A2LMNA | |
| SCHEMBL15608196 | 0.81 | ALDH1A1 (0.43) | ARERN1ALDH1A1CYP1A2LMNA | |
| SCHEMBL15618978 | 0.80 | ERN1 (0.53) | ERN1TLR2TLR1TLR6SRC | |
| SCHEMBL15608711 | 0.78 | CSNK2A2 (0.35) | ARERN1ALDH1A1CYP1A2LMNA | |
| SCHEMBL1043732 | 0.78 | ERN1 (0.61) | ERN1TLR2TLR1TLR6SRC | |
| SCHEMBL15608315 | 0.76 | ERN1 (0.47) | ERN1TLR2TLR1TLR6SRC | |
| SCHEMBL15619375 | 0.76 | ALDH1A1 (0.44) | ARERN1ALDH1A1CYP1A2CYP2C19 | |
| SCHEMBL22046775 | 0.75 | ALDH1A1 (0.42) | ERN1ALDH1A1LMNAMEN1TSHR | |
| SCHEMBL6535649 | 0.74 | TDP1 (0.46) | ARERN1ALDH1A1LMNAMEN1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8999918-B2 | Bis(fluoroalkyl)-1,4-benzodiazepinone compounds and prodrugs thereof | BRISTOL-MYERS SQUIBB COMPANY (US) | 2015-04-07 | — | — | US | disclosed |
| US-20140087992-A1 | BIS(FLUOROALKYL)-1,4-BENZODIAZEPINONE COMPOUNDS AND PRODRUGS THEREOF | BRISTOL-MYERS SQUIBB COMPANY | 2014-03-27 | — | — | 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-20140087992-A1 | BIS(FLUOROALKYL)-1,4-BENZODIAZEPINONE COMPOUNDS AND PRODRUGS THEREOF | CNR1, ROR1, RORB | AR 425/4885ERN1 3753/4885TLR2 2494/4885 |
“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.