Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPN2 | P17706 | 3/20 | 0.41 |
| ▸ | PTPN1 | P18031 | 3/20 | 0.41 |
| ▸ | F10 | P00742 | 2/20 | 0.38 |
| ▸ | PNLIP | P16233 | 3/20 | 0.38 |
| ▸ | UGT2B7 | P16662 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | CDC25B | P30305 | 1/20 | 0.37 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.37 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.34 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.34 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.34 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.34 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.34 |
| ▸ | PSENEN | Q9NZ42 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL9609154 | 0.85 | PTPN2 (0.43) | PTPN2PTPN1PNLIPALDH1A1TSHR | |
| SCHEMBL30585215 | 0.85 | PTPN2 (0.43) | PTPN2PTPN1PNLIPALDH1A1TSHR | |
| SCHEMBL30585217 | 0.85 | PTPN2 (0.43) | PTPN2PTPN1PNLIPALDH1A1TSHR | |
| SCHEMBL8514874 | 0.85 | PTPN2 (0.43) | PTPN2PTPN1PNLIPALDH1A1TSHR | |
| SCHEMBL30585218 | 0.82 | NR1H2 (0.45) | PTPN1PNLIPTSHRCYP3A4CYP2C9 | |
| SCHEMBL25396197 | 0.80 | PTPN2 (0.46) | PTPN2PTPN1PNLIPUGT2B7ALDH1A1 | |
| SCHEMBL30585225 | 0.80 | PTPN2 (0.46) | PTPN2PTPN1PNLIPUGT2B7ALDH1A1 | |
| SCHEMBL30585222 | 0.80 | PTPN2 (0.46) | PTPN2PTPN1PNLIPUGT2B7ALDH1A1 | |
| SCHEMBL14248383 | 0.79 | ALDH1A1 (0.41) | ALDH1A1TSHR | |
| SCHEMBL2264463 | 0.75 | ALDH1A1 (0.40) | ALDH1A1TSHRPSEN1PSEN2APH1B |
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 3 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-2012069647-A1 | NOVEL 1H- SPIRO [NAPHTALENE- 2, 2 ' -OXIRANE] DERIVATIVES | GIVAUDAN SA (CH) | 2012-05-31 | — | — | WO | disclosed |