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 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A known ✓ | P08908 | 1/20 | 0.41 |
| ▸ | DRD2 known ✓ | P14416 | 1/20 | 0.41 |
| ▸ | HTR2A known ✓ | P28223 | 1/20 | 0.41 |
| ▸ | SIRT1 | Q96EB6 | 3/20 | 0.53 |
| ▸ | HEXA | P06865 | 3/20 | 0.44 |
| ▸ | HEXB | P07686 | 3/20 | 0.44 |
| ▸ | OGA | O60502 | 1/20 | 0.44 |
| ▸ | LPAR2 | Q9HBW0 | 5/20 | 0.42 |
| ▸ | BRD4 | O60885 | 1/20 | 0.41 |
| ▸ | HTR7 | P34969 | 1/20 | 0.41 |
| ▸ | HTR6 | P50406 | 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 | |
|---|---|---|---|---|
| SCHEMBL9079533 | 0.89 | SIRT1 (0.43) | SIRT1HEXAHEXB | |
| SCHEMBL9079568 | 0.87 | SIRT1 (0.49) | SIRT1HEXAHEXBOGALPAR2 | |
| SCHEMBL9079634 | 0.87 | SIRT1 (0.50) | SIRT1HEXAHEXBOGA | |
| SCHEMBL9080115 | 0.86 | FTO (0.54) | SIRT1 | |
| SCHEMBL9080075 | 0.86 | SIRT1 (0.59) | SIRT1HEXAHEXBOGALPAR2 | |
| SCHEMBL9080576 | 0.85 | FTO (0.46) | SIRT1 | |
| SCHEMBL9080275 | 0.84 | FTO (0.46) | SIRT1OGA | |
| SCHEMBL9079262 | 0.83 | FTO (0.51) | SIRT1 | |
| SCHEMBL9219088 | 0.83 | SIRT1 (0.53) | SIRT1HEXAHEXBOGA | |
| SCHEMBL9216777 | 0.83 | SIRT1 (0.47) | SIRT1HEXAHEXBOGA |
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 |
|---|---|---|---|---|---|---|---|
| US-5585382-A | ANTICARCINOGENIC AGENTS | THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) | 1996-12-17 | — | — | US | disclosed |
| US-5416089-A | Antitumor agent | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1995-05-16 | — | — | US | disclosed |
| WO-1995000490-A1 | BIS-IMIDE POLYCYCLIC AND HETEROCYCLIC CHROMOPHORES USEFUL AS TUMORICIDALS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1995-01-05 | — | — | WO | disclosed |