Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.53 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.53 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.50 |
| ▸ | ABL1 | P00519 | 7/20 | 0.44 |
| ▸ | BCR | P11274 | 7/20 | 0.44 |
| ▸ | LMNA | P02545 | 5/20 | 0.44 |
| ▸ | RECQL | P46063 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 3/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.42 |
| ▸ | ATM | Q13315 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | HTT | P42858 | 2/20 | 0.40 |
| ▸ | MITF | O75030 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | MMP2 | P08253 | 1/20 | 0.40 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL9158 | 0.88 | ALDH1A1 (0.55) | ALDH1A1HIF1AVCAM1ABL1BCR | |
| SCHEMBL14880650 | 0.82 | ALDH1A1 (0.60) | ALDH1A1HIF1AVCAM1ABL1BCR | |
| SCHEMBL28339827 | 0.81 | ALDH1A1 (0.55) | ALDH1A1HIF1AVCAM1ABL1BCR | |
| SCHEMBL3120356 | 0.80 | ALDH1A1 (0.58) | ALDH1A1HIF1AVCAM1ABL1BCR | |
| SCHEMBL31023151 | 0.79 | ALDH1A1 (0.56) | ALDH1A1HIF1AVCAM1ABL1BCR | |
| SCHEMBL29494110 | 0.79 | ALDH1A1 (0.56) | ALDH1A1HIF1AVCAM1ABL1BCR | |
| SCHEMBL7615803 | 0.79 | ALDH1A1 (0.56) | ALDH1A1HIF1AVCAM1ABL1BCR | |
| SCHEMBL14899811 | 0.79 | ALDH1A1 (0.56) | ALDH1A1HIF1AVCAM1ABL1BCR | |
| SCHEMBL29990481 | 0.79 | ALDH1A1 (0.56) | ALDH1A1HIF1AVCAM1ABL1BCR | |
| SCHEMBL960995 | 0.79 | ALDH1A1 (0.56) | ALDH1A1HIF1AVCAM1ABL1BCR |
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 |
|---|---|---|---|---|---|---|---|
| EP-2709992-A1 | 1,3-OXAZINES AS BACE1 AND/OR BACE2 INHIBITORS | F. Hoffmann-La Roche AG (CH) | 2014-03-26 | — | — | EP | disclosed |
| WO-2012156284-A1 | 1,3-OXAZINES AS BACE1 AND/OR BACE2 INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2012-11-22 | — | — | WO | disclosed |