Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.56 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.53 |
| ▸ | HTT | P42858 | 1/20 | 0.53 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.49 |
| ▸ | PKM | P14618 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL31087177 | 0.92 | ALDH1A1 (0.65) | KDM4EALDH1A1L3MBTL1CYP2C9CYP2C19 | |
| SCHEMBL9828879 | 0.89 | ALDH1A1 (0.58) | KDM4EALDH1A1L3MBTL1CYP2C9CYP2C19 | |
| SCHEMBL9797058 | 0.89 | ALDH1A1 (0.58) | KDM4EALDH1A1L3MBTL1CYP2C9CYP2C19 | |
| SCHEMBL10857521 | 0.86 | KDM4E (0.63) | KDM4EALDH1A1L3MBTL1CYP2C9CYP2C19 | |
| SCHEMBL5108684 | 0.85 | KDM4E (0.58) | KDM4EALDH1A1L3MBTL1CYP2C9CYP2C19 | |
| SCHEMBL22587273 | 0.81 | CYP2C9 (0.58) | KDM4EALDH1A1L3MBTL1CYP2C9CYP2C19 | |
| SCHEMBL22587316 | 0.80 | KDM4E (0.57) | KDM4EALDH1A1L3MBTL1CYP2C9CYP2C19 | |
| SCHEMBL9879418 | 0.79 | HTT (0.45) | KDM4EALDH1A1L3MBTL1CYP2C9CYP2C19 | |
| SCHEMBL10735952 | 0.79 | ALDH1A1 (0.73) | KDM4EALDH1A1L3MBTL1CYP2C9CYP2C19 | |
| SCHEMBL9879082 | 0.76 | HTT (0.77) | KDM4EALDH1A1L3MBTL1CYP2C9CYP2C19 |
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 4 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 |
| WO-1991018887-A1 | DIAMINOPYRIMIDINE COMPOUNDS | SMITHKLINE BEECHAM INTERCREDIT B.V. (NL) | 1991-12-12 | — | — | WO | disclosed |
| US-4116674-A | Process of severely damaging or killing unwanted plants with pyrimidine compounds | IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) | 1978-09-26 | — | — | US | disclosed |