Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | RXRA | P19793 | 2/20 | 0.31 |
| ▸ | NR4A2 | P43354 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL12495442 | 0.86 | ADORA2A (0.35) | LMNAADORA2ACYP1A2 | |
| Water SCHEMBL29567314 | 0.84 | ADORA2A (0.34) | LMNAADORA2A | |
| SCHEMBL9286483 | 0.84 | KDM4E (0.42) | KDM4EALDH1A1LMNACYP1A2HPGD | |
| SCHEMBL7124916 | 0.75 | MAPK1 (0.31) | — | |
| SCHEMBL15434656 | 0.75 | KDM4E (0.39) | KDM4EALDH1A1LMNACYP1A2HPGD | |
| SCHEMBL9287984 | 0.74 | LMNA (0.34) | KDM4EALDH1A1LMNACYP1A2HPGD | |
| SCHEMBL8513097 | 0.74 | ADORA2A (0.36) | KDM4EALDH1A1LMNAADORA2ACYP1A2 | |
| SCHEMBL9288748 | 0.74 | KDM4E (0.34) | KDM4EALDH1A1LMNACYP1A2HPGD | |
| SCHEMBL3969708 | 0.74 | — | — | |
| SCHEMBL12368143 | 0.72 | ALDH1A1 (0.40) | KDM4EALDH1A1LMNACYP1A2HPGD |
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-2643315-A1 | BENZOXAZEPINES AS INHIBITORS OF P13K/mTOR AND METHODS OF THEIR USE AND MANUFACTURE | Exelixis, Inc. (US) | 2013-10-02 | — | — | EP | disclosed |
| WO-2012071501-A1 | BENZOXAZEPINES ASN INHIBITORS OF P13K/M TOR AND METHODS OF THEIR USE AND MANUFACTURE | EXELIXIS, INC. (US) | 2012-05-31 | — | — | WO | disclosed |