Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 4/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 4/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | ALPG | P10696 | 1/20 | 0.42 |
| ▸ | CES2 | O00748 | 3/20 | 0.42 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.41 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | DAO | P14920 | 1/20 | 0.38 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.38 |
| ▸ | ALKBH5 | Q6P6C2 | 1/20 | 0.37 |
| ▸ | PGR | P06401 | 1/20 | 0.37 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL12373167 | 0.81 | TDP1 (0.44) | CES1TDP1L3MBTL1LMNAHPGD | |
| SCHEMBL29237750 | 0.76 | TDP1 (0.47) | CES1TDP1L3MBTL1LMNAHPGD | |
| SCHEMBL740969 | 0.76 | TDP1 (0.47) | CES1TDP1L3MBTL1LMNAHPGD | |
| SCHEMBL28317285 | 0.75 | CES1 (0.58) | CES1TDP1L3MBTL1LMNACES2 | |
| SCHEMBL408412 | 0.75 | TDP1 (0.50) | CES1TDP1L3MBTL1LMNAHPGD | |
| SCHEMBL23091851 | 0.75 | TDP1 (0.50) | CES1TDP1L3MBTL1LMNAHPGD | |
| SCHEMBL2649732 | 0.75 | CES1 (0.52) | CES1TDP1L3MBTL1LMNACES2 | |
| SCHEMBL741380 | 0.75 | CES1 (0.40) | CES1TDP1L3MBTL1LMNAHPGD | |
| SCHEMBL9819108 | 0.75 | POLB (0.47) | LMNAHPGDSMN1; SMN2ALDH1A1HTT | |
| SCHEMBL395491 | 0.74 | MDM2 (0.48) | CES1TDP1L3MBTL1LMNAHPGD |
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-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-1025106-A2 | ALLOSTERIC ADENOSINE RECEPTOR MODULATORS | Medco Research, Inc. (US) | 2000-08-09 | — | — | EP | disclosed |
| WO-1999021617-A2 | ALLOSTERIC ADENOSINE RECEPTOR MODULATORS | MEDCO RESEARCH, INC. (US) | 1999-05-06 | — | — | WO | disclosed |