Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | GPR3 | P46089 | 1/20 | 0.38 |
| ▸ | STIM1 | Q13586 | 2/20 | 0.37 |
| ▸ | ORAI1 | Q96D31 | 2/20 | 0.37 |
| ▸ | CTNNB1 | P35222 | 2/20 | 0.34 |
| ▸ | WNT3A | P56704 | 2/20 | 0.34 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.33 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.33 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.33 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.33 |
| ▸ | KIF11 | P52732 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | P2RX7 | Q99572 | 2/20 | 0.32 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.31 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.31 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.31 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.31 |
| ▸ | RXRA | P19793 | 2/20 | 0.30 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL13367746 | 0.85 | STIM1 (0.40) | TSHRGPR3STIM1ORAI1CTNNB1 | |
| SCHEMBL8237644 | 0.84 | STIM1 (0.33) | TSHRGPR3STIM1ORAI1CTNNB1 | |
| SCHEMBL16076086 | 0.84 | TSHR (0.42) | TSHRGPR3STIM1ORAI1PIK3CA | |
| SCHEMBL8236665 | 0.84 | CD44 (0.43) | TSHRGPR3STIM1ORAI1P2RX7 | |
| SCHEMBL12279630 | 0.84 | STIM1 (0.33) | TSHRGPR3STIM1ORAI1CTNNB1 | |
| SCHEMBL1702518 | 0.84 | STIM1 (0.33) | TSHRGPR3STIM1ORAI1CTNNB1 | |
| SCHEMBL24793422 | 0.80 | P2RX7 (0.37) | TSHRGPR3STIM1ORAI1SCN9A | |
| SCHEMBL12744390 | 0.80 | P2RX7 (0.39) | STIM1ORAI1P2RX7 | |
| SCHEMBL25028967 | 0.80 | ULK1 (0.33) | TSHRGPR3STIM1ORAI1NOTUM | |
| SCHEMBL25027513 | 0.79 | GRIA1 (0.39) | TSHRGPR3STIM1ORAI1CTNNB1 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2024115641-A1 | NONCOVALENT KEAP1-NRF2 SMALL-MOLECULE INHIBITORS | UNIVERSITY OF COPENHAGEN (DK) | 2024-06-06 | — | — | WO | disclosed |
| US-9795599-B2 | CCR6 compounds | CHEMOCENTRYX, INC. (US) | 2017-10-24 | — | — | US | disclosed |
| US-20160296508-A1 | CCR6 COMPUNDS | CHEMOCENTRYX, INC. | 2016-10-13 | — | — | US | disclosed |
| US-9340509-B2 | CCR6 compounds | CHEMOCENTRYX, INC. (US) | 2016-05-17 | — | — | US | disclosed |
| US-20150175547-A1 | CCR6 COMPOUNDS | CHEMOCENTRYX, INC. | 2015-06-25 | — | — | US | disclosed |
| WO-2015084842-A1 | CCR6 COMPOUNDS | CHEMOCENTRYX, INC. (US) | 2015-06-11 | — | — | WO | disclosed |
| US-7910614-B2 | Azolylmethyloxiranes, use thereof for controlling plant pathogenic fungi, and agents containing the same | BASF SE (DE) | 2011-03-22 | — | — | US | disclosed |
| US-20090325801-A1 | Azolylmethyloxiranes, Use Thereof for Controlling Plant Pathogenic Fungi, and Agents Containing the Same | BASF SE (DE) | 2009-12-31 | — | — | US | disclosed |
| WO-2007089034-A1 | BENZOXAZINES AND RELATED NITROGEN-CONTAINING HETEROBICYCLIC COMPOUNDS USEFUL AS MINERALOCORTICOID RECEPTOR MODULATING AGENTS | MITSUBISHI TANABE PHARMA CORPORATION (JP) | 2007-08-09 | — | — | 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 (3 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-20160296508-A1 | CCR6 COMPUNDS | CCR6, CCR1, CCR4 | TSHR 3038/4885GPR3 2324/4885STIM1 2158/4885 |
| US-20150175547-A1 | CCR6 COMPOUNDS | CCR6, CCR1, CCR4 | TSHR 3545/4885GPR3 1117/4885STIM1 1770/4885 |
| US-20090325801-A1 | Azolylmethyloxiranes, Use Thereof for Controlling Plant Pathogenic Fungi, and Agents Containing the Same | CBR3, NAT1, CBR1 | TSHR 2597/4885GPR3 3739/4885STIM1 2731/4885 |
“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.