Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.53 |
| ▸ | HPGD | P15428 | 3/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.53 |
| ▸ | NPC1 | O15118 | 7/20 | 0.43 |
| ▸ | RAB9A | P51151 | 7/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | DUSP26 | Q9BV47 | 1/20 | 0.42 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL5221568 | 0.84 | ALDH1A1 (0.57) | ALDH1A1HPGDCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL5223431 | 0.82 | ALDH1A1 (0.56) | ALDH1A1HPGDCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL5038771 | 0.81 | ALDH1A1 (0.54) | ALDH1A1HPGDCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL5217943 | 0.81 | ALDH1A1 (0.54) | ALDH1A1HPGDCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL5853216 | 0.81 | HPGD (0.53) | ALDH1A1HPGDCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL5218047 | 0.81 | ALDH1A1 (0.53) | ALDH1A1HPGDCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL11113445 | 0.80 | ALDH1A1 (0.49) | ALDH1A1HPGDNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL5218358 | 0.80 | PLA2G2A (0.59) | ALDH1A1HPGDCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL5223839 | 0.80 | ALDH1A1 (0.52) | ALDH1A1HPGDCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL5854626 | 0.80 | ALDH1A1 (0.55) | ALDH1A1HPGDCYP1A2CYP3A4CYP2D6 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8039455-B2 | Macrocyclic compounds useful as BACE inhibitors | NOVARTIS AG (CH) | 2011-10-18 | — | — | US | disclosed |
| US-20090029960-A1 | MACROCYCLIC COMPOUNDS USEFUL AS BASE INHIBITORS | NOVARTIS AG (CH) | 2009-01-29 | — | — | US | disclosed |
| EP-1968954-A1 | MACROCYCLIC COMPOUNDS USEFUL AS BACE INHIBITORS | Novartis AG (CH) | 2008-09-17 | — | — | EP | disclosed |
| US-20080132477-A1 | Macrocyclic Compounds Useful as Bace Inhibitors | NOVARTIS AG (CH) | 2008-06-05 | — | — | US | disclosed |
| EP-1851208-A1 | MACROCYCLIC COMPOUNDS USEFUL AS BACE INHIBITORS | Novartis AG (CH) | 2007-11-07 | — | — | EP | disclosed |
| WO-2007077004-A1 | MACROCYCLIC COMPOUNDS USEFUL AS BACE INHIBITORS | NOVARTIS AG (CH) | 2007-07-12 | — | — | WO | disclosed |
| WO-2006074950-A1 | MACROCYCLIC COMPOUNDS USEFUL AS BACE INHIBITORS | NOVARTIS AG (CH) | 2006-07-20 | — | — | WO | 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-20090029960-A1 | MACROCYCLIC COMPOUNDS USEFUL AS BASE INHIBITORS | SLC10A2, SLC10A1, ASAH2 | ALDH1A1 2955/4885HPGD 889/4885CYP1A2 2961/4885 |
| US-20080132477-A1 | Macrocyclic Compounds Useful as Bace Inhibitors | BACE1, BACE2, APP | ALDH1A1 2631/4885HPGD 2739/4885CYP1A2 2245/4885 |
“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.