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 | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 2/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.47 |
| ▸ | LMNA | P02545 | 4/20 | 0.47 |
| ▸ | HTT | P42858 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.44 |
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | MMP1 | P03956 | 1/20 | 0.41 |
| ▸ | MMP2 | P08253 | 1/20 | 0.41 |
| ▸ | MMP9 | P14780 | 1/20 | 0.41 |
| ▸ | MMP8 | P22894 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL10747466 | 1.00 | PTGS2 (0.50) | PTGS2GAASMN1; SMN2LMNAHTT | |
| SCHEMBL3655125 | 1.00 | PTGS2 (0.50) | PTGS2GAASMN1; SMN2LMNAHTT | |
| Sulfuric Acid SCHEMBL11038813 | 0.92 | PTGS2 (0.47) | PTGS2GAASMN1; SMN2LMNAHTT | |
| Trifluoromethanesulfonic Acid SCHEMBL669548 | 0.82 | PTGS2 (0.42) | PTGS2GAASMN1; SMN2LMNAHTT | |
| Toluene SCHEMBL27659900 | 0.82 | LMNA (0.46) | PTGS2GAASMN1; SMN2LMNAHTT | |
| SCHEMBL135343 | 0.82 | LMNA (0.57) | PTGS2GAASMN1; SMN2LMNAHTT | |
| SCHEMBL23071122 | 0.82 | KMT2A (0.46) | PTGS2GAASMN1; SMN2LMNAHTT | |
| Methyl Alcohol SCHEMBL11046402 | 0.81 | — | — | |
| SCHEMBL1310594 | 0.81 | LMNA (0.50) | GAASMN1; SMN2LMNAALDH1A1KMT2A | |
| SCHEMBL12062 | 0.81 | — | — |
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-2205681-A1 | DYE COMPOSITION COMPRISING AT LEAST ONE COLORLESS DISULFIDE/THIOL PRECURSOR, AND DYEING PROCESS USING THE COMPOSITION | L'Oreal (FR) | 2010-07-14 | — | — | EP | disclosed |
| WO-2009040354-A1 | DYE COMPOSITION COMPRISING AT LEAST ONE COLORLESS DISULFIDE/THIOL PRECURSOR, AND DYEING PROCESS USING THE COMPOSITION | L'OREAL (FR) | 2009-04-02 | — | — | WO | disclosed |
| WO-2009037325-A2 | THIOL/DISULFIDE INDOLE-DERIVED, STYRYL DYE, DYE COMPOSITION COMPRISING SAID DYE, PROCESS FOR LIGHTENING KERATIN MATERIALS USING THIS DYE | L'OREAL (FR) | 2009-03-26 | — | — | WO | disclosed |