Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.54 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | BCAT2 | O15382 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.45 |
| ▸ | ADRB3 | P13945 | 5/20 | 0.44 |
| ▸ | AOC3 | Q16853 | 3/20 | 0.44 |
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 | |
|---|---|---|---|---|
| Toluene SCHEMBL3908528 | 0.93 | ALDH1A1 (0.52) | SMN1; SMN2ALDH1A1KDM4EL3MBTL1CYP1A2 | |
| SCHEMBL20689722 | 0.79 | KDM4E (0.73) | SMN1; SMN2ALDH1A1KDM4EL3MBTL1ADRB2 | |
| SCHEMBL7298571 | 0.76 | KDM4E (0.63) | SMN1; SMN2ALDH1A1KDM4EL3MBTL1ADRB2 | |
| SCHEMBL8867337 | 0.76 | KDM4E (0.63) | SMN1; SMN2ALDH1A1KDM4EL3MBTL1ADRB2 | |
| SCHEMBL6320068 | 0.76 | KDM4E (0.73) | SMN1; SMN2ALDH1A1KDM4EL3MBTL1BCAT2 | |
| SCHEMBL1626455 | 0.76 | KDM4E (0.73) | SMN1; SMN2ALDH1A1KDM4EL3MBTL1BCAT2 | |
| SCHEMBL7298568 | 0.75 | KDM4E (0.61) | SMN1; SMN2ALDH1A1KDM4EL3MBTL1CYP1A2 | |
| SCHEMBL3357314 | 0.75 | CYP3A4 (0.50) | SMN1; SMN2ALDH1A1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL3354867 | 0.75 | CYP3A4 (0.50) | SMN1; SMN2ALDH1A1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL3357678 | 0.75 | CYP3A4 (0.50) | SMN1; SMN2ALDH1A1CYP1A2CYP3A4CYP2D6 |
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-7727997-B2 | N,N′-substituted-1,3-diamino-2-hydroxypropane derivatives | ELAN PHARMACEUTICALS, INC. (US) | 2010-06-01 | — | — | US | disclosed |
| US-20070213316-A1 | Compounds that are effective inhibitors of beta-secretase; inhibitors of beta-secretase-mediated cleavage of amyloid precursor proteins; effective inhibitors of A beta production, and/or are effective to reduce amyloid beta deposits or plaques; treatment of disorders such as Alzheimer's Disease | ELAN PHARMACEUTICALS, INC. | 2007-09-13 | — | — | 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-20070213316-A1 | Compounds that are effective inhibitors of beta-secretase; inhibitors of beta-secretase-mediated cleavage of amyloid precursor proteins; effective inhibitors of A beta production, and/or are effective to reduce amyloid beta deposits or plaques; treatment of disorders such as Alzheimer's Disease | BACE1, BACE2, APP | SMN1; SMN2 1298/4885ALDH1A1 2133/4885KDM4E 4082/4885 |
“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.