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 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 2/20 | 0.35 |
| ▸ | USP2 | O75604 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL537775 | 0.91 | — | — | |
| SCHEMBL28059294 | 0.80 | ALDH1A1 (0.33) | USP2TSHR | |
| SCHEMBL5998269 | 0.75 | CA2 (0.37) | CA2USP2TSHR | |
| SCHEMBL5231067 | 0.75 | — | — | |
| SCHEMBL14779541 | 0.71 | USP2 (0.41) | USP2TSHR | |
| SCHEMBL246838 | 0.69 | CA2 (0.58) | CA2USP2TSHR | |
| SCHEMBL8596055 | 0.69 | CA2 (0.58) | CA2USP2TSHR | |
| SCHEMBL25599 | 0.69 | CA2 (0.58) | CA2USP2TSHR | |
| SCHEMBL15109974 | 0.69 | — | — | |
| SCHEMBL105 | 0.69 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2649076-B1 | MACROCYCLIC INHIBITORS OF FLAVIVIRIDAE VIRUSES | GILEAD SCIENCES INC (US) | 2015-03-04 | — | — | EP | disclosed |
| US-8933015-B2 | Macrocyclic inhibitors of flaviviridae viruses | GILEAD SCIENCES, INC. (US) | 2015-01-13 | — | — | US | disclosed |
| US-20140023616-A1 | MACROCYCLIC INHIBITORS OF FLAVIVIRIDAE VIRUSES | SELCIA LIMITED (GB) | 2014-01-23 | — | — | US | disclosed |
| EP-2649076-A1 | MACROCYCLIC INHIBITORS OF FLAVIVIRIDAE VIRUSES | Gilead Sciences, Inc. (US) | 2013-10-16 | — | — | EP | disclosed |
| US-8513184-B2 | Macrocyclic inhibitors of flaviviridae viruses | GILEAD SCIENCES, INC. (US) | 2013-08-20 | — | — | US | disclosed |
| US-20130022573-A1 | MACROCYCLIC INHIBITORS OF FLAVIVIRIDAE VIRUSES | SELCIA LIMITED (GB) | 2013-01-24 | — | — | US | disclosed |
| WO-2012078915-A1 | MACROCYCLIC INHIBITORS OF FLAVIVIRIDAE VIRUSES | GILEAD SCIENCES, INC. (US) | 2012-06-14 | — | — | WO | 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 (2 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-20140023616-A1 | MACROCYCLIC INHIBITORS OF FLAVIVIRIDAE VIRUSES | HAVCR2, ZC3HAV1, CYP2F1 | CA2 4346/4885USP2 4287/4885TSHR 3832/4885 |
| US-20130022573-A1 | MACROCYCLIC INHIBITORS OF FLAVIVIRIDAE VIRUSES | HAVCR2, ZC3HAV1, CYP2F1 | CA2 4346/4885USP2 4287/4885TSHR 3832/4885 |
“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.