Known targets — ChEMBL curated mechanism
ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.71 |
| ▸ | TSHR | P16473 | 2/20 | 0.71 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.55 |
| ▸ | NPC1 | O15118 | 2/20 | 0.55 |
| ▸ | RAB9A | P51151 | 2/20 | 0.55 |
| ▸ | POLB | P06746 | 2/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | CA12 | O43570 | 1/20 | 0.50 |
| ▸ | CA9 | Q16790 | 1/20 | 0.50 |
| ▸ | CA2 | P00918 | 1/20 | 0.48 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.48 |
| ▸ | ESR1 | P03372 | 1/20 | 0.47 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.47 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.47 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| Sulfuric Acid SCHEMBL6574021 | 0.94 | ALDH1A1 (0.74) | ALDH1A1TSHRTAAR1NPC1RAB9A | |
| Sulfuric Acid SCHEMBL6574025 | 0.94 | ALDH1A1 (0.74) | ALDH1A1TSHRTAAR1NPC1RAB9A | |
| SCHEMBL7757234 | 0.86 | TSHR (0.63) | ALDH1A1TSHRTAAR1NPC1RAB9A | |
| SCHEMBL15826671 | 0.86 | TSHR (0.63) | ALDH1A1TSHRTAAR1NPC1RAB9A | |
| Trifluoromethanesulfonic Acid SCHEMBL23573044 | 0.85 | TSHR (0.61) | ALDH1A1TSHRTAAR1NPC1RAB9A | |
| Vinylsulfonic Acid SCHEMBL7524551 | 0.85 | TSHR (0.61) | ALDH1A1TSHRTAAR1NPC1RAB9A | |
| Bicarbonate SCHEMBL14811027 | 0.85 | ALDH1A1 (0.81) | ALDH1A1TSHRTAAR1NPC1RAB9A | |
| Bicarbonate SCHEMBL4671806 | 0.85 | ALDH1A1 (0.81) | ALDH1A1TSHRTAAR1NPC1RAB9A | |
| Methyl Alcohol SCHEMBL2647148 | 0.84 | TSHR (0.90) | ALDH1A1TSHRTAAR1NPC1RAB9A | |
| SCHEMBL5014268 | 0.84 | TSHR (1.00) | ALDH1A1TSHRTAAR1NPC1RAB9A |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0577302-B1 | Process for preparing alpha-anomer enriched 2-deoxy-2,2-difluoro-D-ribofuranosyl sulfonates | LILLY CO ELI (US) | 1997-07-16 | — | — | EP | claimed |
| EP-0640614-B1 | Stereoselective process for preparing beta-anomer enriched 2-deoxy-2, 2-difluoro-d-ribofuranosyl-3, 5-hydroxy protected-1-alkyl and aryl sulfonate intermediates | LILLY CO ELI (US) | 1996-12-04 | — | — | EP | claimed |
| US-5424416-A | Sulfonating a lactol, followed with nucleobase anion, forming anomers | ELI LILLY AND COMPANY (US) | 1995-06-13 | — | — | US | claimed |
| EP-0577302-A1 | Process for preparing alpha-anomer enriched 2-deoxy-2,2-difluoro-D-ribofuranosyl sulfonates | ELI LILLY AND COMPANY (US) | 1994-01-05 | — | — | EP | claimed |
| US-5256798-A | Treating beta-anomer ribofuranosyl sulfonate with source of conjugate anion | ELI LILLY AND COMPANY (US) | 1993-10-26 | — | — | US | claimed |
| EP-0577303-B1 | Stereoselective glycosylation process | LILLY CO ELI (US) | 1997-10-01 | — | — | EP | disclosed |
| EP-0577302-B1 | Process for preparing alpha-anomer enriched 2-deoxy-2,2-difluoro-D-ribofuranosyl sulfonates | LILLY CO ELI (US) | 1997-07-16 | — | — | EP | disclosed |
| EP-0640614-B1 | Stereoselective process for preparing beta-anomer enriched 2-deoxy-2, 2-difluoro-d-ribofuranosyl-3, 5-hydroxy protected-1-alkyl and aryl sulfonate intermediates | LILLY CO ELI (US) | 1996-12-04 | — | — | EP | disclosed |
| US-5424416-A | Sulfonating a lactol, followed with nucleobase anion, forming anomers | ELI LILLY AND COMPANY (US) | 1995-06-13 | — | — | US | disclosed |
| EP-0640614-A2 | Stereoselective process for preparing beta-anomer enriched 2-deoxy-2, 2-difluoro-d-ribofuranosyl-3, 5-hydroxy protected-1-alkyl and aryl sulfonate intermediates | ELI LILLY AND COMPANY (US) | 1995-03-01 | — | — | EP | disclosed |
| EP-0577302-A1 | Process for preparing alpha-anomer enriched 2-deoxy-2,2-difluoro-D-ribofuranosyl sulfonates | ELI LILLY AND COMPANY (US) | 1994-01-05 | — | — | EP | disclosed |
| EP-0577303-A1 | Stereoselective glycosylation process | ELI LILLY AND COMPANY (US) | 1994-01-05 | — | — | EP | disclosed |
| US-5256798-A | Treating beta-anomer ribofuranosyl sulfonate with source of conjugate anion | ELI LILLY AND COMPANY (US) | 1993-10-26 | — | — | US | disclosed |