Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 6/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | PCSK9 | Q8NBP7 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 4/20 | 0.44 |
| ▸ | ELANE | P08246 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | ESR1 | P03372 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.41 |
| ▸ | RNASEL | Q05823 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL5770681 | 0.88 | CA1 (0.43) | TSHRTDP1L3MBTL1ALDH1A1MAPK1 | |
| SCHEMBL1237692 | 0.83 | TSHR (0.44) | TSHRL3MBTL1ALDH1A1HSD17B10LMNA | |
| SCHEMBL16150457 | 0.83 | ELANE (0.42) | TSHRTDP1L3MBTL1ALDH1A1MAPK1 | |
| SCHEMBL17493149 | 0.83 | TSHR (0.43) | TSHRTDP1L3MBTL1ALDH1A1MAPK1 | |
| SCHEMBL28664851 | 0.79 | TRPV6 (0.44) | TSHRL3MBTL1ALDH1A1MAPK1PCSK9 | |
| SCHEMBL1063089 | 0.78 | TDP1 (0.46) | TSHRTDP1L3MBTL1ALDH1A1MAPK1 | |
| SCHEMBL1128562 | 0.76 | PCSK9 (0.58) | TSHRTDP1L3MBTL1ALDH1A1MAPK1 | |
| SCHEMBL1237722 | 0.76 | ALDH1A1 (0.53) | TDP1L3MBTL1ALDH1A1MAPK1HSD17B10 | |
| SCHEMBL8727025 | 0.76 | MAPT (0.49) | TDP1L3MBTL1ALDH1A1LMNAMEN1 | |
| Phenol SCHEMBL2362180 | 0.75 | TSHR (0.59) | TSHRTDP1L3MBTL1ALDH1A1MAPK1 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2349223-A2 | DOSAGE UNITS OF 3-(6-(1-(2,2-DIFLUOROBENZO [D][1,3]DIOXOL-5-YL) CYCLOPROPANECARBOXAMIDO)-3-METHYLPYRIDIN-2-YL)BENZOIC ACID | Vertex Pharmaceuticals Incorporated (US) | 2011-08-03 | — | — | EP | disclosed |
| WO-2009034390-A1 | HETEROCYCLIC DERIVATIVES AND THEIR USE IN TREATING HEPATITIS C | ARROW THERAPEUTICS LIMITED (GB) | 2009-03-19 | — | — | WO | disclosed |
| EP-2029579-A2 | CYCLOHEXYLPYRAZOLE-LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 | ELI LILLY AND COMPANY (US) | 2009-03-04 | — | — | EP | disclosed |
| EP-2021336-A2 | INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 | ELI LILLY AND COMPANY (US) | 2009-02-11 | — | — | EP | disclosed |
| WO-2007127688-A2 | INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 | ELI LILLY AND COMPANY (US) | 2007-11-08 | — | — | WO | disclosed |
| WO-2007124254-A2 | CYCLOHEXYLPYRAZOLE-LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 | ELI LILLY AND COMPANY (US) | 2007-11-01 | — | — | WO | disclosed |
| EP-1828180-A1 | 1H-PYRROLO[2,3-BETA]PYRIDINES | SMITHKLINE BEECHAM CORPORATION (US) | 2007-09-05 | — | — | EP | disclosed |
| WO-2006063167-A1 | 1H-PYRROLO[2,3-B]PYRIDINES | SMITHKLINE BEECHAM CORPORATION (US) | 2006-06-15 | — | — | WO | disclosed |