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 | |
|---|---|---|---|---|
| ▸ | EPHX2 | P34913 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | CA2 | P00918 | 3/20 | 0.37 |
| ▸ | SHBG | P04278 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.32 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.32 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.32 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.32 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.32 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.32 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.32 |
| ▸ | GABRA6 | Q16445 | 1/20 | 0.32 |
| ▸ | CA12 | O43570 | 3/20 | 0.32 |
| ▸ | CA7 | P43166 | 1/20 | 0.32 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | CA5A | P35218 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| Cyclohexanol SCHEMBL3916391 | 0.85 | TSHR (0.56) | EPHX2TSHRCA2CYP3A4LMNA | |
| SCHEMBL6628487 | 0.81 | TSHR (0.35) | EPHX2TSHRMAPK1 | |
| SCHEMBL20594856 | 0.79 | EPHX2 (0.33) | EPHX2TSHRSHBG | |
| SCHEMBL3053305 | 0.79 | EPHX2 (0.33) | EPHX2TSHRSHBG | |
| SCHEMBL3053304 | 0.79 | EPHX2 (0.33) | EPHX2TSHRSHBG | |
| SCHEMBL12018141 | 0.79 | CA12 (0.46) | EPHX2CA2LMNACA12CA7 | |
| SCHEMBL12017951 | 0.79 | CA12 (0.46) | EPHX2CA2LMNACA12CA7 | |
| SCHEMBL11784035 | 0.75 | TSHR (0.52) | EPHX2TSHRCYP3A4LMNAGABRA1 | |
| SCHEMBL24511672 | 0.75 | CA1 (0.34) | EPHX2TSHRCA2SHBGCA1 | |
| Ethane SCHEMBL18543108 | 0.73 | TSHR (0.54) | EPHX2TSHRCA2SHBGLMNA |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0918781-A4 | ASYMMETRIC SYNTHESIS CATALYZED BY TRANSITION METAL COMPLEXES WITH CYCLIC CHIRAL LIGANDS | PENN STATE RES FOUND (US) | 1999-07-28 | — | — | EP | disclosed |
| EP-0918781-A1 | ASYMMETRIC SYNTHESIS CATALYZED BY TRANSITION METAL COMPLEXES WITH CYCLIC CHIRAL LIGANDS | THE PENN STATE RESEARCH FOUNDATION (US) | 1999-06-02 | — | — | EP | disclosed |
| WO-1997047633-A1 | ASYMMETRIC SYNTHESIS CATALYZED BY TRANSITION METAL COMPLEXES WITH CYCLIC CHIRAL PHOSPHINE LIGANDS | THE PENN STATE RESEARCH FOUNDATION (US) | 1997-12-18 | — | — | WO | disclosed |