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 | |
|---|---|---|---|---|
| ▸ | FLT4 known ✓ | P35916 | 1/20 | 0.44 |
| ▸ | KDR known ✓ | P35968 | 2/20 | 0.42 |
| ▸ | SIRT1 | Q96EB6 | 3/20 | 0.49 |
| ▸ | DYRK3 | O43781 | 1/20 | 0.44 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.44 |
| ▸ | EPHA2 | P29317 | 1/20 | 0.44 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.44 |
| ▸ | HEXA | P06865 | 3/20 | 0.43 |
| ▸ | HEXB | P07686 | 3/20 | 0.43 |
| ▸ | OGA | O60502 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | RGS12 | O14924 | 1/20 | 0.42 |
| ▸ | USP2 | O75604 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | ATM | Q13315 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 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 | |
|---|---|---|---|---|
| SCHEMBL9217376 | 0.96 | SIRT1 (0.53) | SIRT1DYRK3RPS6KB1EPHA2FLT4 | |
| SCHEMBL9080071 | 0.90 | FTO (0.54) | SIRT1HEXAHEXBOGAMEN1 | |
| SCHEMBL9042793 | 0.82 | SIRT1 (0.50) | SIRT1DYRK3RPS6KB1EPHA2FLT4 | |
| SCHEMBL9080075 | 0.81 | SIRT1 (0.59) | SIRT1HEXAHEXBOGALPAR2 | |
| SCHEMBL9079634 | 0.80 | SIRT1 (0.50) | SIRT1DYRK3RPS6KB1EPHA2FLT4 | |
| SCHEMBL9079400 | 0.80 | SIRT1 (0.52) | SIRT1DYRK3RPS6KB1EPHA2FLT4 | |
| SCHEMBL9079725 | 0.79 | SIRT1 (0.52) | SIRT1DYRK3RPS6KB1EPHA2FLT4 | |
| SCHEMBL9079568 | 0.79 | SIRT1 (0.49) | SIRT1DYRK3RPS6KB1EPHA2FLT4 | |
| SCHEMBL7709787 | 0.78 | KMT2A (0.46) | MEN1USP2POLBMAPTHTT | |
| SCHEMBL9080549 | 0.78 | SIRT1 (0.52) | SIRT1DYRK3RPS6KB1EPHA2FLT4 |
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 |
| EP-0705250-A1 | BIS-IMIDE POLYCYCLIC AND HETEROCYCLIC CHROMOPHORES USEFUL AS TUMORICIDALS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1996-04-10 | — | — | EP | disclosed |
| US-5416089-A | Antitumor agent | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1995-05-16 | — | — | US | disclosed |