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 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIRT1 | Q96EB6 | 3/20 | 0.51 |
| ▸ | LPAR2 | Q9HBW0 | 1/20 | 0.50 |
| ▸ | ACHE | P22303 | 7/20 | 0.47 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.43 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.43 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.43 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.43 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.43 |
| ▸ | OGA | O60502 | 1/20 | 0.42 |
| ▸ | HEXA | P06865 | 1/20 | 0.42 |
| ▸ | HEXB | P07686 | 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 | |
|---|---|---|---|---|
| SCHEMBL9079725 | 0.89 | SIRT1 (0.52) | SIRT1LPAR2OGAHEXAHEXB | |
| SCHEMBL9080075 | 0.89 | SIRT1 (0.59) | SIRT1LPAR2ACHEOGAHEXA | |
| SCHEMBL9039246 | 0.87 | SIRT1 (0.48) | SIRT1LPAR2HDAC1HDAC6OGA | |
| SCHEMBL9078215 | 0.87 | SIRT1 (0.50) | SIRT1ACHEHDAC3HDAC1HDAC11 | |
| SCHEMBL9080077 | 0.85 | SIRT1 (0.48) | SIRT1LPAR2OGAHEXAHEXB | |
| SCHEMBL9080348 | 0.83 | SIRT1 (0.50) | SIRT1HEXAHEXB | |
| SCHEMBL9080304 | 0.83 | SIRT1 (0.50) | SIRT1LPAR2OGAHEXAHEXB | |
| SCHEMBL9079400 | 0.81 | SIRT1 (0.52) | SIRT1ACHEHDAC3HDAC1HDAC11 | |
| SCHEMBL9078994 | 0.80 | HEXA (0.52) | SIRT1HEXAHEXB | |
| SCHEMBL9039842 | 0.80 | SIRT1 (0.51) | SIRT1LPAR2OGAHEXAHEXB |
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 |