Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 4/20 | 0.41 |
| ▸ | CES2 | O00748 | 2/20 | 0.41 |
| ▸ | CES1 | P23141 | 2/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | PGR | P06401 | 1/20 | 0.40 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.40 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.40 |
| ▸ | HTR2A | P28223 | 1/20 | 0.40 |
| ▸ | HRH1 | P35367 | 1/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.40 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 3/20 | 0.39 |
| ▸ | RAB9A | P51151 | 3/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL11331689 | 0.82 | SLC6A3 (0.40) | TSHRTDP1L3MBTL1ALDH1A1CYP3A4 | |
| SCHEMBL25213754 | 0.82 | HSD17B10 (0.47) | L3MBTL1ALDH1A1CYP3A4LMNAHTT | |
| SCHEMBL20075175 | 0.82 | LMNA (0.47) | TSHRTDP1ALDH1A1LMNACES2 | |
| SCHEMBL30737544 | 0.82 | RAPGEF3 (0.44) | TSHRL3MBTL1ALDH1A1LMNACES2 | |
| SCHEMBL21741440 | 0.82 | GSK3B (0.56) | ALDH1A1RAB9AKMT2AMAPTPOLB | |
| SCHEMBL8315333 | 0.82 | CES2 (0.57) | TSHRALDH1A1CES2CES1NPC1 | |
| SCHEMBL741380 | 0.77 | CES1 (0.40) | TSHRTDP1L3MBTL1ALDH1A1CYP3A4 | |
| SCHEMBL28273393 | 0.76 | CES2 (0.42) | TDP1L3MBTL1ALDH1A1CYP3A4LMNA | |
| SCHEMBL2989614 | 0.75 | KMT2A (0.47) | TSHRTDP1L3MBTL1ALDH1A1CYP3A4 | |
| SCHEMBL9018972 | 0.75 | NPC1 (0.42) | TSHRTDP1L3MBTL1ALDH1A1CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| CN-105272883-B | A kind of preparation method of the fluoro benzoyl acetonitrile of high-purity 4 | 天津市科莱博瑞科技有限公司 | 2017-09-22 | — | — | CN | disclosed |
| CN-105272883-A | Preparation method for high-purity 4-fluorobenzoylacetonitrile | TIANJIN KELAI BORUI TECHNOLOGY CO LTD | 2016-01-27 | — | — | CN | disclosed |
| EP-2430029-A1 | THIENO [2, 3-B]PYRIDINE DERIVATIVES AS VIRAL REPLICATION INHIBITORS | Katholieke Universiteit Leuven (BE) | 2012-03-21 | — | — | EP | disclosed |
| WO-2010130842-A1 | THIENO [2, 3-B] PYRIDINE DERIVATIVES AS VIRAL REPLICATION INHIBITORS | KATHOLIEKE UNIVERSITEIT LEUVEN (BE) | 2010-11-18 | — | — | WO | disclosed |
| EP-0315698-B1 | THIENO(TRIAZOLO)DIAZEPINE COMPOUNDS AND MEDICINAL APPLICATION OF THE SAME | YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) | 1993-03-03 | — | — | EP | disclosed |
| US-4960770-A | Vasodilating agents, cardiovascular disorder | YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) | 1990-10-02 | — | — | US | disclosed |
| EP-0315698-A1 | THIENO(TRIAZOLO)DIAZEPINE COMPOUNDS AND MEDICINAL APPLICATION OF THE SAME | YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) | 1989-05-17 | — | — | EP | disclosed |