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 | |
|---|---|---|---|---|
| ▸ | MAOB known ✓ | P27338 | 2/20 | 0.40 |
| ▸ | HTR3A known ✓ | P46098 | 3/20 | 0.35 |
| ▸ | KDR known ✓ | P35968 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | HTR6 | P50406 | 4/20 | 0.40 |
| ▸ | ADRB1 | P08588 | 5/20 | 0.38 |
| ▸ | SIRT6 | Q8N6T7 | 1/20 | 0.36 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.36 |
| ▸ | HTR3E | A5X5Y0 | 3/20 | 0.35 |
| ▸ | HTR3B | O95264 | 3/20 | 0.35 |
| ▸ | HTR3D | Q70Z44 | 3/20 | 0.35 |
| ▸ | HTR3C | Q8WXA8 | 3/20 | 0.35 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL2312822 | 0.91 | MAOB (0.43) | LMNAKDM4EALDH1A1HTR6MAOB | |
| SCHEMBL2312826 | 0.91 | MAOB (0.43) | LMNAKDM4EALDH1A1HTR6MAOB | |
| SCHEMBL2314961 | 0.90 | PTGS2 (0.42) | KDM4EALDH1A1PTGS2MAPTSMN1; SMN2 | |
| SCHEMBL2314957 | 0.82 | PTGS2 (0.45) | KDM4EALDH1A1PTGS2MAPTSMN1; SMN2 | |
| SCHEMBL10100617 | 0.79 | MAPT (0.47) | KDM4EALDH1A1PTGS2MAPTSMN1; SMN2 | |
| SCHEMBL12431683 | 0.78 | STK17A (0.37) | LMNAKDM4EALDH1A1HTR6MAOB | |
| SCHEMBL18774420 | 0.77 | MAOB (0.31) | MAOBADRB1 | |
| SCHEMBL10100615 | 0.76 | MAOB (0.44) | LMNAKDM4EALDH1A1HTR6MAOB | |
| SCHEMBL560191 | 0.76 | PTGS2 (0.43) | KDM4EALDH1A1PTGS2MAPTSMN1; SMN2 | |
| SCHEMBL560190 | 0.76 | PTGS2 (0.43) | KDM4EALDH1A1PTGS2MAPTSMN1; SMN2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120031422-A9 | FLUORESCENT ENTITY, DYEING COMPOSITION CONTAINING AT LEAST ONE FLUORESCENT ENTITY COMPRISING AT LEAST ONE HETEROCYCLE, WITH AT LEAST ONE INTERNAL CATIONIC CHARGE, AND METHOD FOR LIGHTENING KERATIN MATERIALS USING SAID AT LEAST ONE FLUORESCENT ENTITY | L'OREAL S.A. (FR) | 2012-02-09 | — | — | US | disclosed |
| US-20110011417-A1 | DYE COMPOSITION CONTAINING A THIOL/DISULPHIDE FLUORESCENT DYE COMPRISING A HETEROCYCLE,AND COMPRISING AN INTERNAL CATIONIC CHARGE, PROCESS FOR LIGHTENING KERATIN MATERIALS USING THIS DYE | L'OREAL S.A. (FR) | 2011-01-20 | — | — | 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 (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-20120031422-A9 | FLUORESCENT ENTITY, DYEING COMPOSITION CONTAINING AT LEAST ONE FLUORESCENT ENTITY COMPRISING AT LEAST ONE HETEROCYCLE, WITH AT LEAST ONE INTERNAL CATIONIC CHARGE, AND METHOD FOR LIGHTENING KERATIN MATERIALS USING SAID AT LEAST ONE FLUORESCENT ENTITY | KRT18, KRTCAP2, DSG1 | MAOB 4042/4885HTR3A 3827/4885KDR 4772/4885 |
| US-20110011417-A1 | DYE COMPOSITION CONTAINING A THIOL/DISULPHIDE FLUORESCENT DYE COMPRISING A HETEROCYCLE,AND COMPRISING AN INTERNAL CATIONIC CHARGE, PROCESS FOR LIGHTENING KERATIN MATERIALS USING THIS DYE | KRT18, CYBA, KRTCAP2 | MAOB 3971/4885HTR3A 3665/4885KDR 4770/4885 |
“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.