Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 1/20 | 0.50 |
| ▸ | RAD52 | P43351 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | P2RX7 | Q99572 | 3/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.45 |
| ▸ | GBA1 | P04062 | 1/20 | 0.45 |
| ▸ | PTPN7 | P35236 | 1/20 | 0.45 |
| ▸ | DUSP3 | P51452 | 1/20 | 0.45 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.45 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.45 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 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 | |
|---|---|---|---|---|
| SCHEMBL11512770 | 0.83 | KMT2A (0.47) | POLBRAD52KMT2AMAPK1CYP1A2 | |
| SCHEMBL2316630 | 0.78 | HSD17B10 (0.59) | KMT2AALDH1A1TSHRHSD17B10THRB | |
| SCHEMBL5914544 | 0.78 | HSD17B10 (0.53) | KMT2AP2RX7ALDH1A1TSHRHSD17B10 | |
| SCHEMBL19088393 | 0.77 | P2RX7 (0.52) | KMT2AP2RX7ALDH1A1HTTAPP | |
| SCHEMBL112756 | 0.75 | HSD17B10 (0.50) | POLBKMT2AP2RX7ALDH1A1TSHR | |
| SCHEMBL5608826 | 0.74 | HTT (0.53) | POLBRAD52KMT2AP2RX7MAPK1 | |
| SCHEMBL11509365 | 0.74 | IDO1 (0.52) | POLBRAD52KMT2AALDH1A1HTT | |
| SCHEMBL10546027 | 0.74 | KMT2A (0.50) | POLBRAD52KMT2AMAPK1HTT | |
| SCHEMBL11242607 | 0.74 | CYP1A2 (0.48) | KMT2ACYP1A2CYP2D6CYP2C19TSHR | |
| SCHEMBL4389670 | 0.74 | KMT2A (0.55) | POLBRAD52KMT2APDE5AAPP |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108047068-A | A kind of synthetic method of C14H10Cl2NNaO2 impurity B | 河南中帅医药科技股份有限公司 | 2018-05-18 | — | — | CN | disclosed |
| US-4758563-A | 3-alkoxy-2-aminopropyamines, cardiovascular compositions and use | MCNEILAB, INC. (US) | 1988-07-19 | — | — | US | disclosed |
| US-4727072-A | HYPOTENSIVE AGENTS | MCNEILAB, INC. (US) | 1988-02-23 | — | — | US | disclosed |
| EP-0237191-A1 | 3-alkoxy-2-aminopropylamines useful as cardiovascular agents | McNeilab, Inc. (US) | 1987-09-16 | — | — | EP | disclosed |
| US-4256639-A | Process for the synthesis of isatin derivatives | AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO (IT) | 1981-03-17 | — | — | US | disclosed |
| US-4152452-A | N-BENZYLANILINE AND DERIVATIVES | WILLIAM H. RORER, INC. (US) | 1979-05-01 | — | — | US | disclosed |