Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.56 |
| ▸ | FBP1 | P09467 | 1/20 | 0.54 |
| ▸ | DGAT1 | O75907 | 9/20 | 0.50 |
| ▸ | DDR1 | Q08345 | 1/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL13242308 | 0.79 | FBP1 (0.62) | ALDH1A1FBP1DGAT1DDR1NPC1 | |
| SCHEMBL15318256 | 0.79 | FBP1 (0.55) | ALDH1A1FBP1DGAT1DDR1NPC1 | |
| SCHEMBL568661 | 0.73 | FBP1 (0.55) | ALDH1A1FBP1DGAT1DDR1NPC1 | |
| SCHEMBL569207 | 0.73 | FBP1 (0.55) | ALDH1A1FBP1DGAT1DDR1NPC1 | |
| SCHEMBL24424625 | 0.73 | FBP1 (0.72) | ALDH1A1FBP1DGAT1DDR1NPC1 | |
| SCHEMBL27934456 | 0.72 | FBP1 (0.55) | ALDH1A1FBP1DGAT1DDR1NPC1 | |
| SCHEMBL15650510 | 0.72 | FBP1 (0.54) | ALDH1A1FBP1DGAT1DDR1NPC1 | |
| SCHEMBL568841 | 0.71 | FBP1 (0.50) | ALDH1A1FBP1DGAT1DDR1NPC1 | |
| SCHEMBL6810475 | 0.70 | EGLN1 (0.42) | ALDH1A1NPC1RAB9A | |
| SCHEMBL2490103 | 0.70 | EGLN1 (0.43) | ALDH1A1NPC1RAB9A |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20140336208-A1 | 1,4,5,6-TETRAHYDRO-PYRIMIDIN-2-YLAMINE COMPOUNDS | F. HOFFMANN-LA ROCHE AG (CH) | 2014-11-13 | — | — | US | disclosed |
| US-8815881-B2 | 1,4,5,6-tetrahydro-pyrimidin-2-ylamine compounds | HOFFMANN-LA ROCHE INC. (US) | 2014-08-26 | — | — | US | disclosed |
| US-8785436-B2 | 1,3-oxazines as BACE 1 and/or BACE2 inhibitors | HOFFMANN-LA ROCHE INC. (US) | 2014-07-22 | — | — | US | disclosed |
| EP-2709992-A1 | 1,3-OXAZINES AS BACE1 AND/OR BACE2 INHIBITORS | F. Hoffmann-La Roche AG (CH) | 2014-03-26 | — | — | EP | disclosed |
| EP-2603496-A1 | 1,4,5,6-TETRAHYDRO-PYRIMIDIN-2-YLAMINE COMPOUNDS | F.HOFFMANN-LA ROCHE AG (CH) | 2013-06-19 | — | — | EP | disclosed |
| US-20120295900-A1 | 1,3-OXAZINES AS BACE 1 AND/OR BACE2 INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2012-11-22 | — | — | US | disclosed |
| WO-2012156284-A1 | 1,3-OXAZINES AS BACE1 AND/OR BACE2 INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2012-11-22 | — | — | WO | disclosed |
| WO-2012019966-A1 | 1,4,5,6-TETRAHYDRO-PYRIMIDIN-2-YLAMINE COMPOUNDS | F. HOFFMANN-LA ROCHE AG (CH) | 2012-02-16 | — | — | WO | disclosed |
| US-20120035195-A1 | 1,4,5,6-TETRAHYDRO-PYRIMIDIN-2-YLAMINE COMPOUNDS | SIENA BIOTECH S.P.A., AN ITALIAN COMPANY (IT) | 2012-02-09 | — | — | 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 (3 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-20140336208-A1 | 1,4,5,6-TETRAHYDRO-PYRIMIDIN-2-YLAMINE COMPOUNDS | BACE2, BACE1, PSEN2 | ALDH1A1 326/4885FBP1 187/4885DGAT1 3613/4885 |
| US-20120035195-A1 | 1,4,5,6-TETRAHYDRO-PYRIMIDIN-2-YLAMINE COMPOUNDS | BACE2, BACE1, PSEN2 | ALDH1A1 326/4885FBP1 187/4885DGAT1 3613/4885 |
| US-20120295900-A1 | 1,3-OXAZINES AS BACE 1 AND/OR BACE2 INHIBITORS | BACE2, BACE1, PSEN1 | ALDH1A1 240/4885FBP1 147/4885DGAT1 2030/4885 |
“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.