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 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.63 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.63 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.60 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.60 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.53 |
| ▸ | USP2 | O75604 | 1/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | TSHR | P16473 | 3/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.49 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.48 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL31661823 | 0.91 | KDM4E (0.65) | KDM4ETDP1ALDH1A1SMN1; SMN2ABCB1 | |
| SCHEMBL13348914 | 0.91 | KDM4E (0.65) | KDM4ETDP1ALDH1A1SMN1; SMN2ABCB1 | |
| SCHEMBL2062605 | 0.91 | KDM4E (0.65) | KDM4ETDP1ALDH1A1SMN1; SMN2ABCB1 | |
| SCHEMBL31661824 | 0.91 | KDM4E (0.65) | KDM4ETDP1ALDH1A1SMN1; SMN2ABCB1 | |
| SCHEMBL4399410 | 0.91 | KDM4E (0.65) | KDM4ETDP1ALDH1A1SMN1; SMN2ABCB1 | |
| SCHEMBL4265430 | 0.90 | KDM4E (0.63) | KDM4ETDP1ALDH1A1SMN1; SMN2ABCB1 | |
| SCHEMBL17443426 | 0.86 | KDM4E (0.69) | KDM4ETDP1ALDH1A1SMN1; SMN2ABCB1 | |
| SCHEMBL14396561 | 0.82 | POLB (0.63) | KDM4ESMN1; SMN2USP2TSHRPOLB | |
| Citric Acid SCHEMBL5495834 | 0.80 | KDM4E (0.59) | KDM4ETDP1ALDH1A1SMN1; SMN2ABCB1 | |
| Citric Acid SCHEMBL5487236 | 0.80 | KDM4E (0.59) | KDM4ETDP1ALDH1A1SMN1; SMN2ABCB1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1453816-B1 | PHENOXY AMINE COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS | EMISPHERE TECH INC (US) | 2013-09-18 | — | — | EP | disclosed |
| US-7297794-B2 | Phenoxy amine compounds and compositions for delivering active agents | EMISPHERE TECHNOLOGIES, INC. (US) | 2007-11-20 | — | — | US | disclosed |
| US-20050119502-A1 | Phenoxy amine compounds and compositions for delivering active agents | EMISPHERE TECHNOLOGIES, INC. (US) | 2005-06-02 | — | — | US | disclosed |
| EP-1453816-A4 | PHENOXY AMINE COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS | EMISPHERE TECH INC (US) | 2005-02-09 | — | — | EP | disclosed |
| EP-1453816-A2 | PHENOXY AMINE COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS | Emisphere Technologies, Inc. (US) | 2004-09-08 | — | — | EP | disclosed |
| WO-2003045306-A2 | PHENOXY AMINE COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS | EMISPHERE TECHNOLOGIES, INC. (US) | 2003-06-05 | — | — | 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 (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-20050119502-A1 | Phenoxy amine compounds and compositions for delivering active agents | PNMT, SLC5A7, PHOSPHO1 | KDM4E 1807/4885TDP1 1482/4885ALDH1A1 2714/4885 |
“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.