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 | |
|---|---|---|---|---|
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.46 |
| ▸ | POLB | P06746 | 2/20 | 0.46 |
| ▸ | LTA4H | P09960 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | MPO | P05164 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL21397880 | 0.88 | HSD17B10 (0.61) | HSD17B10CYP1A2CYP2C19LMNACYP2C9 | |
| SCHEMBL31501741 | 0.80 | CYP3A4 (0.50) | HSD17B10HPGDCYP1A2CYP2C19CYP2C9 | |
| SCHEMBL9318729 | 0.79 | ALDH1A1 (0.67) | CYP1A2LMNACYP2C9PTGS2ALDH1A1 | |
| Methyl Isonicotinate SCHEMBL180574 | 0.77 | CYP1A2 (0.60) | HSD17B10CYP1A2CYP2C19LMNACYP2C9 | |
| Methyl Isonicotinate SCHEMBL820082 | 0.77 | CYP1A2 (0.60) | HSD17B10CYP1A2CYP2C19LMNACYP2C9 | |
| SCHEMBL9318493 | 0.77 | ATM (0.50) | CYP1A2CYP2C19CYP2C9PTGS2ALDH1A1 | |
| SCHEMBL27592050 | 0.76 | HSD17B10 (0.53) | HSD17B10HPGDCYP1A2CYP2C19LMNA | |
| Methyl Isonicotinate SCHEMBL9213497 | 0.75 | LMNA (0.58) | HSD17B10CYP1A2CYP2C19LMNACYP2C9 | |
| Methyl Isonicotinate SCHEMBL9217491 | 0.75 | LMNA (0.58) | HSD17B10CYP1A2CYP2C19LMNACYP2C9 | |
| Methyl Isonicotinate SCHEMBL29827431 | 0.75 | LMNA (0.58) | HSD17B10CYP1A2CYP2C19LMNACYP2C9 |
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-0300461-B1 | Aromatic heterocyclic peroxyacids | AUSIMONT SPA (IT) | 1994-01-12 | — | — | EP | claimed |
| US-4902803-A | Aromatic heterocyclic peroxycarboxylic acids | AUSIMONT S.P.A. (IT) | 1990-02-20 | — | — | US | claimed |
| EP-0300461-A2 | Aromatic heterocyclic peroxyacids | AUSIMONT S.p.A. (IT) | 1989-01-25 | — | — | EP | claimed |
| EP-0300461-B1 | Aromatic heterocyclic peroxyacids | AUSIMONT SPA (IT) | 1994-01-12 | — | — | EP | disclosed |
| US-4902803-A | Aromatic heterocyclic peroxycarboxylic acids | AUSIMONT S.P.A. (IT) | 1990-02-20 | — | — | US | disclosed |
| EP-0300461-A2 | Aromatic heterocyclic peroxyacids | AUSIMONT S.p.A. (IT) | 1989-01-25 | — | — | EP | disclosed |