Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.38 |
| ▸ | RAB9A | P51151 | 3/20 | 0.37 |
| ▸ | RECQL | P46063 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 3/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CDC7 | O00311 | 1/20 | 0.36 |
| ▸ | DBF4 | Q9UBU7 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | CNR1 | P21554 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 3/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL13980907 | 0.84 | ALDH1A1 (0.40) | ALDH1A1HPGDNPSR1SMN1; SMN2KDM4E | |
| SCHEMBL16479899 | 0.81 | NPC1 (0.43) | ALDH1A1HPGDNPSR1SMN1; SMN2KDM4E | |
| SCHEMBL9372680 | 0.79 | ALDH1A1 (0.41) | ALDH1A1HPGDSMN1; SMN2KDM4ERAB9A | |
| SCHEMBL16479767 | 0.78 | ALDH1A1 (0.35) | ALDH1A1HPGDNPSR1SMN1; SMN2KDM4E | |
| SCHEMBL16476778 | 0.78 | CNR1 (0.38) | ALDH1A1HPGDNPSR1SMN1; SMN2KDM4E | |
| SCHEMBL10431205 | 0.78 | CTSL (0.40) | RAB9ARECQLL3MBTL1NPC1 | |
| SCHEMBL14260717 | 0.77 | ALDH1A1 (0.57) | ALDH1A1HPGDNPSR1SMN1; SMN2KDM4E | |
| SCHEMBL9607556 | 0.75 | POLB (0.41) | ALDH1A1SMN1; SMN2RAB9AGAACDC7 | |
| SCHEMBL13478968 | 0.74 | L3MBTL1 (0.38) | ALDH1A1HPGDNPSR1SMN1; SMN2KDM4E | |
| SCHEMBL7233421 | 0.72 | NPC1 (0.54) | ALDH1A1HPGDSMN1; SMN2KDM4ERAB9A |
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-20140107100-A1 | Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture | EXELIXIS, INC. (US) | 2014-04-17 | — | — | US | disclosed |
| WO-2012071519-A1 | BENZOXAZEPINES AS INHIBITORS OF P13K/MTOR AND METHODS OF THEIR USE AND MANUFACTURE | EXELIXIS, INC. (US) | 2012-05-31 | — | — | 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 (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-20140107100-A1 | Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture | MTOR, RICTOR, PIK3CA | ALDH1A1 3533/4885HPGD 1161/4885NPSR1 1460/4885 |
“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.