Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ERN1 | O75460 | 5/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | CA1 | P00915 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 1/20 | 0.47 |
| ▸ | MGLL | Q99685 | 1/20 | 0.47 |
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.46 |
| ▸ | MMP2 | P08253 | 1/20 | 0.45 |
| ▸ | MMP9 | P14780 | 1/20 | 0.45 |
| ▸ | MMP8 | P22894 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.43 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.42 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL134473 | 0.94 | ALDH1A1 (0.55) | ERN1ALDH1A1HPGDSMN1; SMN2CA1 | |
| SCHEMBL10626283 | 0.85 | ALDH1A1 (0.64) | ERN1ALDH1A1HPGDSMN1; SMN2MMP2 | |
| SCHEMBL12663198 | 0.84 | ALDH1A1 (0.46) | ERN1ALDH1A1HPGDSMN1; SMN2CA1 | |
| SCHEMBL257886 | 0.84 | HPGD (0.76) | ALDH1A1HPGDSMN1; SMN2CA1CA2 | |
| SCHEMBL1081442 | 0.80 | CA2 (0.43) | ALDH1A1HPGDSMN1; SMN2CA1CA2 | |
| SCHEMBL1004649 | 0.78 | ALDH1A1 (0.73) | ERN1ALDH1A1HPGDSMN1; SMN2MMP2 | |
| SCHEMBL2047793 | 0.78 | HPGD (0.63) | ERN1ALDH1A1HPGDSMN1; SMN2CYP1A2 | |
| SCHEMBL5937241 | 0.78 | CSNK2A1 (0.62) | ERN1ALDH1A1HPGDSMN1; SMN2MMP2 | |
| SCHEMBL26680622 | 0.78 | HSD17B1 (0.59) | ERN1ALDH1A1HPGDSMN1; SMN2MMP2 | |
| SCHEMBL16574187 | 0.78 | ALDH1A1 (0.55) | ERN1ALDH1A1HPGDSMN1; SMN2MMP2 |
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-8569331-B2 | Substituted benzo[f]lmidazo[1,2-d]pyrido[2,3-b][1,4]diazepine compounds | ARQULE, INC. (US) | 2013-10-29 | — | — | US | disclosed |
| WO-2012061342-A2 | SUBSTITUTED BENZO-IMIDAZO-PYRIDO-DIAZEPINE COMPOUNDS | ARQULE, INC. (US) | 2012-05-10 | — | — | WO | disclosed |
| US-20120108574-A1 | Substituted Benzo-Imidazo-Pyrido-Diazepine Compounds | ARQULE, INC. (US) | 2012-05-03 | — | — | 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-20120108574-A1 | Substituted Benzo-Imidazo-Pyrido-Diazepine Compounds | BRD4, BRPF3, BRD3 | ERN1 4309/4885ALDH1A1 1178/4885HPGD 252/4885 |
“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.