Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | DDB1 | Q16531 | 2/20 | 0.44 |
| ▸ | CRBN | Q96SW2 | 2/20 | 0.44 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.44 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.44 |
| ▸ | IKZF3 | Q9UKT9 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.42 |
| ▸ | MC4R | P32245 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL3540268 | 1.00 | ALDH1A1 (0.44) | ALDH1A1CYP1A2TSHRDDB1CRBN | |
| SCHEMBL15261513 | 0.78 | TSHR (0.39) | ALDH1A1CYP1A2TSHRDDB1CRBN | |
| SCHEMBL30619211 | 0.78 | ALDH1A1 (0.42) | ALDH1A1CYP1A2TSHRDDB1CRBN | |
| SCHEMBL15260892 | 0.78 | TSHR (0.39) | ALDH1A1CYP1A2TSHRDDB1CRBN | |
| SCHEMBL11978254 | 0.78 | HTR2B (0.43) | ALDH1A1CYP1A2TSHRDDB1CRBN | |
| SCHEMBL26611531 | 0.78 | ALDH1A1 (0.42) | ALDH1A1CYP1A2TSHRDDB1CRBN | |
| SCHEMBL3839500 | 0.78 | SLC18A3 (0.44) | ALDH1A1CYP1A2TSHRDDB1CRBN | |
| SCHEMBL3839504 | 0.78 | SLC18A3 (0.44) | ALDH1A1CYP1A2TSHRDDB1CRBN | |
| SCHEMBL6659482 | 0.78 | SLC18A3 (0.44) | ALDH1A1CYP1A2TSHRDDB1CRBN | |
| SCHEMBL7201032 | 0.76 | ALDH1A1 (0.57) | ALDH1A1CYP1A2TSHRDDB1CRBN |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1457495-A1 | Adenosine A1 receptor agonists | GLAXO GROUP LIMITED (GB) | 2004-09-15 | — | — | EP | disclosed |
| EP-1030857-B1 | ADENOSINE A1 RECEPTOR AGONISTS | GLAXO GROUP LTD (GB) | 2004-08-18 | — | — | EP | disclosed |
| EP-1446110-A2 | ORGANOSULFUR INHIBITORS OF TYROSINE PHOSPHATASES | Structural Bioinformatics Inc. (US) | 2004-08-18 | — | — | EP | disclosed |
| WO-2003032916-A2 | ORGANOSULFUR INHIBITORS OF TYROSINE PHOSPHATASES | STRUCTURAL BIOINFORMATICS INC. (US) | 2003-04-24 | — | — | WO | disclosed |
| US-6455510-B1 | Chemical Compounds | SMITHKLINE BEECHAM CORPORATION | 2002-09-24 | — | — | US | disclosed |
| US-6407076-B1 | ANTIISCHEMIC, ANTILIPOLYTIC, ANTICONVULSANT AND HYPOTENSIVE AGENTS; CARDIOVASCULAR AND NERVOUS SYSTEM DISORDERS; ATHEROSCLEROSIS | SMITHKLINE BEECHAM CORPORATION | 2002-06-18 | — | — | US | disclosed |
| EP-1030857-A2 | ADENOSINE A1 RECEPTOR AGONISTS | GLAXO GROUP LIMITED (GB) | 2000-08-30 | — | — | EP | disclosed |
| EP-1027363-A2 | ADENOSINE A1-RECEPTOR AGONISTS | GLAXO GROUP LIMITED (GB) | 2000-08-16 | — | — | EP | disclosed |
| WO-1999024449-A2 | ADENOSINE A1 RECEPTOR AGONISTS | GLAXO GROUP LIMITED (GB) | 1999-05-20 | — | — | WO | disclosed |
| WO-1999024450-A2 | ADENSINE A1 RECEPTOR AGONISTS | GLAXO GROUP LIMITED (GB) | 1999-05-20 | — | — | WO | disclosed |