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 | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.43 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.43 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.42 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.42 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.42 |
| ▸ | SYK | P43405 | 5/20 | 0.42 |
| ▸ | AURKB | Q96GD4 | 2/20 | 0.41 |
| ▸ | INCENP | Q9NQS7 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | SQOR | Q9Y6N5 | 1/20 | 0.40 |
| ▸ | ACP1 | P24666 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL7772129 | 0.94 | SYK (0.46) | ADORA3ADORA2AADORA1CYP3A4SYK | |
| SCHEMBL8935757 | 0.92 | ADORA3 (0.43) | ADORA3NPC1HSP90AA1RAB9AKMT2A | |
| SCHEMBL7770338 | 0.85 | FFAR1 (0.43) | ADORA3SYKAURKBINCENPNPC1 | |
| SCHEMBL8596986 | 0.85 | ABL1 (0.44) | ADORA3SYKNPC1RAB9A | |
| SCHEMBL15996444 | 0.84 | HSP90AA1 (0.42) | ADORA2ASYKNPC1HSP90AA1PKM | |
| SCHEMBL7771784 | 0.82 | HSP90AA1 (0.45) | ADORA2AADORA1SYKAURKBINCENP | |
| SCHEMBL31260432 | 0.80 | NPC1 (0.57) | ADORA3CYP3A4SYKNPC1HSP90AA1 | |
| SCHEMBL7454751 | 0.80 | NPC1 (0.57) | ADORA3CYP3A4SYKNPC1HSP90AA1 | |
| SCHEMBL8597039 | 0.80 | MEN1 (0.44) | ADORA3ADORA2AADORA1CYP3A4SYK | |
| SCHEMBL7770325 | 0.77 | MCL1 (0.59) | ADORA3CYP3A4NPC1HSP90AA1PKM |
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-6248870-B1 | OLIGO-2,6-PYRIMIDINE COMPLEXING AGENT. | NYCOMED IMAGING AS (NO) | 2001-06-19 | — | — | US | disclosed |
| US-5817774-A | Unsymmetrical complexing agents and targeting immunoreagents useful in therapeutic and diagnostic compositions and methods | STERLING WINTHROP INCORPORATION (US) | 1998-10-06 | — | — | US | disclosed |
| US-5559214-A | Unsymmetrical complexing agents and targeting immunoreagents useful in thearpeutic and diagnostic compositions and methods | STERLING WINTHROP INC. (US) | 1996-09-24 | — | — | US | disclosed |