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 | |
|---|---|---|---|---|
| ▸ | HTR1A known ✓ | P08908 | 1/20 | 0.38 |
| ▸ | ADRA1D known ✓ | P25100 | 1/20 | 0.38 |
| ▸ | ADRA1A known ✓ | P35348 | 1/20 | 0.38 |
| ▸ | ADRA1B known ✓ | P35368 | 1/20 | 0.38 |
| ▸ | HTR2C known ✓ | P28335 | 1/20 | 0.38 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.44 |
| ▸ | EIF4H | Q15056 | 1/20 | 0.44 |
| ▸ | SLC40A1 | Q9NP59 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.43 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.42 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.42 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.42 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.42 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.42 |
| ▸ | HDAC11 | Q96DB2 | 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 | |
|---|---|---|---|---|
| SCHEMBL6553257 | 0.83 | PABPC1 (0.47) | PABPC1EIF4HLMNAHDAC3HDAC4 | |
| SCHEMBL827693 | 0.83 | PSMD14 (0.57) | SLC40A1ALDH1A1LMNACYP3A4HPGD | |
| SCHEMBL5279823 | 0.77 | ALDH1A1 (0.43) | ALDH1A1LMNACYP3A4HPGDRXFP1 | |
| SCHEMBL22169485 | 0.76 | LMNA (0.44) | ALDH1A1LMNACYP3A4HPGDRXFP1 | |
| SCHEMBL6824375 | 0.76 | ALDH1A1 (0.47) | ALDH1A1LMNACYP3A4HPGDRXFP1 | |
| SCHEMBL29523397 | 0.76 | NUDT1 (0.57) | ALDH1A1LMNACYP3A4HPGDRXFP1 | |
| SCHEMBL1768671 | 0.76 | NUDT1 (0.57) | ALDH1A1LMNACYP3A4HPGDRXFP1 | |
| SCHEMBL28176881 | 0.76 | LMNA (0.45) | ALDH1A1LMNACYP3A4HPGDRXFP1 | |
| SCHEMBL29381262 | 0.74 | KDM4E (0.57) | SLC40A1HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL607663 | 0.74 | KDM4E (0.57) | SLC40A1HDAC3HDAC4HDAC1HDAC7 |
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 5 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 |
| 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 |