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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 4/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.51 |
| ▸ | HTT | P42858 | 2/20 | 0.51 |
| ▸ | ITGA1 | P56199 | 2/20 | 0.48 |
| ▸ | LMNA | P02545 | 3/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | NLRP1 | Q9C000 | 1/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.46 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.46 |
| ▸ | PPARG | P37231 | 7/20 | 0.45 |
| ▸ | ACLY | P53396 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.43 |
| ▸ | PCTP | Q9UKL6 | 2/20 | 0.43 |
| ▸ | STARD10 | Q9Y365 | 2/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | EDNRA | P25101 | 2/20 | 0.43 |
| ▸ | EDNRB | P24530 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL4875554 | 0.97 | MAPT (0.54) | MAPTALDH1A1HTTITGA1LMNA | |
| SCHEMBL4884325 | 0.86 | CA1 (0.51) | MAPTALDH1A1HTTLMNAMEN1 | |
| SCHEMBL14018770 | 0.83 | CDK1 (0.47) | MAPTALDH1A1HTTITGA1LMNA | |
| SCHEMBL715497 | 0.80 | MAPT (0.42) | MAPTALDH1A1HTTLMNAMEN1 | |
| SCHEMBL4878237 | 0.79 | SMN1; SMN2 (0.43) | MAPTALDH1A1HTTLMNAKMT2A | |
| SCHEMBL14018589 | 0.79 | SMN1; SMN2 (0.48) | MAPTALDH1A1LMNAKMT2APCTP | |
| SCHEMBL4880800 | 0.78 | MAPT (0.79) | MAPTALDH1A1HTTITGA1LMNA | |
| SCHEMBL14018681 | 0.78 | MAPT (0.53) | MAPTALDH1A1HTTITGA1LMNA | |
| SCHEMBL4878635 | 0.76 | MAPT (0.51) | MAPTALDH1A1HTTITGA1LMNA | |
| SCHEMBL4882845 | 0.75 | PPARG (0.63) | MAPTALDH1A1ITGA1LMNAMEN1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20080255169-A1 | 4'-Fluoro-biphenyl-3-sulfonic acid benzo[1,3]dioxol-5-ylamide, for example; for use as an alpha 2 beta 1 integrin I domain inhibitor; use as a medicament for treating thrombosis and cancer spread | BIOTIE THERAPIES CORPORATION (FI) | 2008-10-16 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20080255169-A1 | 4'-Fluoro-biphenyl-3-sulfonic acid benzo[1,3]dioxol-5-ylamide, for example; for use as an alpha 2 beta 1 integrin I domain inhibitor; use as a medicament for treating thrombosis and cancer spread | NR1I2, ITGA2, ITGB2 | MAPT 4739/4885ALDH1A1 685/4885HTT 4729/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.