Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 2/20 | 0.38 |
| ▸ | MAOB | P27338 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | GAA | P10253 | 2/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.33 |
| ▸ | OXTR | P30559 | 1/20 | 0.33 |
| ▸ | ALPL | P05186 | 1/20 | 0.33 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.33 |
| ▸ | ACSL1 | P33121 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.30 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.30 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL212723 | 0.74 | MAOA (0.42) | MAOAMAOBKDM4EALDH1A1HSD17B10 | |
| SCHEMBL16397646 | 0.74 | MAOA (0.42) | MAOAMAOBKDM4EALDH1A1HSD17B10 | |
| SCHEMBL30298128 | 0.70 | MAPT (0.43) | MAOAMAOBSMN1; SMN2KDM4EALDH1A1 | |
| SCHEMBL218818 | 0.70 | MAPT (0.43) | MAOAMAOBSMN1; SMN2KDM4EALDH1A1 | |
| Carbamic Acid SCHEMBL15477883 | 0.68 | MAOA (0.39) | MAOAMAOBSMN1; SMN2KDM4EALDH1A1 | |
| Benzene SCHEMBL27714049 | 0.67 | MAOA (0.46) | MAOAMAOBSMN1; SMN2OXTR | |
| SCHEMBL5921176 | 0.67 | LMNA (0.38) | SMN1; SMN2KDM4EALDH1A1HSD17B10HPGD | |
| Bicarbonate SCHEMBL8861355 | 0.66 | MAOA (0.56) | MAOAMAOBSMN1; SMN2KDM4EALDH1A1 | |
| Benzophenone SCHEMBL27794515 | 0.66 | ALDH1A1 (0.48) | MAOAMAOBSMN1; SMN2ALDH1A1HSD17B10 | |
| SCHEMBL10512939 | 0.66 | MAOA (0.50) | MAOAMAOBSMN1; SMN2KDM4EALDH1A1 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2013151930-A1 | BICYCLIC AZAHETEROCYCLOBENZYLAMINES AS PI3K INHIBITORS | INCYTE CORPORATION (US) | 2013-10-10 | — | — | WO | disclosed |
| EP-2643315-A1 | BENZOXAZEPINES AS INHIBITORS OF P13K/mTOR AND METHODS OF THEIR USE AND MANUFACTURE | Exelixis, Inc. (US) | 2013-10-02 | — | — | EP | disclosed |
| EP-2643327-A1 | BENZOXAZEPINES AS INHIBITORS OF MTOR AND METHODS OF THEIR USE AND MANUFACTURE | Exelixis, Inc. (US) | 2013-10-02 | — | — | EP | disclosed |
| WO-2012071511-A1 | BENZOXAZEPINES AS INHIBITORS OF MTOR AND METHODS OF THEIR USE AND MANUFACTURE | EXELIXIS, INC. (US) | 2012-05-31 | — | — | WO | 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 |
| EP-2435426-A1 | BENZOXAZEPINES AS INHIBITORS OF PI3K/m TOR AND METHODS OF THEIR USE AND MANUFACTURE | Exelixis, Inc. (US) | 2012-04-04 | — | — | EP | disclosed |
| WO-2010138487-A1 | BENZOXAZEPINES AS INHIBITORS OF PI3K/m TOR AND METHODS OF THEIR USE AND MANUFACTURE | EXELIXIS, INC. (US) | 2010-12-02 | — | — | WO | disclosed |