Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | LMNA | P02545 | 3/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.36 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.36 |
| ▸ | FPR1 | P21462 | 4/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL2989823 | 0.96 | ALDH1A1 (0.41) | ALDH1A1LMNANPSR1MEN1ALOX12 | |
| SCHEMBL2989821 | 0.96 | ALDH1A1 (0.41) | ALDH1A1LMNANPSR1MEN1ALOX12 | |
| SCHEMBL3000755 | 0.89 | CNR1 (0.35) | ALDH1A1LMNASLC22A12 | |
| SCHEMBL13772635 | 0.89 | ALDH1A1 (0.40) | ALDH1A1LMNANPSR1MEN1ALOX12 | |
| SCHEMBL8318326 | 0.87 | AKT1 (0.35) | ALDH1A1LMNASLC22A12 | |
| SCHEMBL2995876 | 0.87 | AKT1 (0.35) | ALDH1A1LMNASLC22A12 | |
| SCHEMBL2997481 | 0.86 | SLC22A12 (0.35) | ALDH1A1LMNANPSR1MEN1ALOX12 | |
| SCHEMBL2994836 | 0.86 | ALDH1A1 (0.33) | ALDH1A1LMNASLC22A12CYP3A4 | |
| SCHEMBL2997480 | 0.86 | SLC22A12 (0.35) | ALDH1A1LMNANPSR1MEN1ALOX12 | |
| SCHEMBL2994832 | 0.86 | ALDH1A1 (0.33) | ALDH1A1LMNASLC22A12CYP3A4 |
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-20090181958-A1 | SUBSTITUTED NITROGEN-CONTAINING HETEROBICYCLES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS | BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) | 2009-07-16 | — | — | US | disclosed |
| US-7429597-B2 | Substituted nitrogen-containing heterobicycles, the preparation thereof and their use as pharmaceutical compositions | BOEHRINGER INGELHEIM PHARMA GMBH & CO., KG (DE) | 2008-09-30 | — | — | US | disclosed |
| US-20040176603-A1 | Substituted nitrogen-containing heterobicycles, the preparation thereof and their use as pharmaceutical compositions | BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) | 2004-09-09 | — | — | 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-20040176603-A1 | Substituted nitrogen-containing heterobicycles, the preparation thereof and their use as pharmaceutical compositions | F11, F12, F2 | ALDH1A1 2355/4885LMNA 774/4885NPSR1 358/4885 |
| US-20090181958-A1 | SUBSTITUTED NITROGEN-CONTAINING HETEROBICYCLES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS | F12, F11, F2 | ALDH1A1 3364/4885LMNA 323/4885NPSR1 268/4885 |
“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.