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 | |
|---|---|---|---|---|
| ▸ | P2RX7 | Q99572 | 3/20 | 0.78 |
| ▸ | YWHAG | P61981 | 1/20 | 0.78 |
| ▸ | YWHAZ | P63104 | 1/20 | 0.78 |
| ▸ | P2RY1 | P47900 | 4/20 | 0.68 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.62 |
| ▸ | MAPT | P10636 | 6/20 | 0.62 |
| ▸ | TDP1 | Q9NUW8 | 6/20 | 0.62 |
| ▸ | HPGD | P15428 | 5/20 | 0.62 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.62 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.62 |
| ▸ | MEN1 | O00255 | 3/20 | 0.62 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.62 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.62 |
| ▸ | THRB | P10828 | 2/20 | 0.62 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.62 |
| ▸ | RECQL | P46063 | 2/20 | 0.62 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.62 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.62 |
| ▸ | BRCA1 | P38398 | 1/20 | 0.62 |
| ▸ | P2RX3 | P56373 | 3/20 | 0.60 |
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 | |
|---|---|---|---|---|
| SCHEMBL7091297 | 0.96 | P2RX7 (0.83) | P2RX7YWHAGYWHAZP2RY1KDM4E | |
| SCHEMBL32686684 | 0.88 | P2RX7 (1.00) | P2RX7YWHAGYWHAZP2RY1KDM4E | |
| SCHEMBL25271476 | 0.88 | P2RX7 (1.00) | P2RX7YWHAGYWHAZP2RY1KDM4E | |
| SCHEMBL14702229 | 0.88 | P2RX7 (1.00) | P2RX7YWHAGYWHAZP2RY1KDM4E | |
| SCHEMBL7093127 | 0.87 | P2RX7 (0.68) | P2RX7YWHAGYWHAZP2RY1KDM4E | |
| SCHEMBL7093732 | 0.81 | P2RX7 (0.78) | P2RX7YWHAGYWHAZP2RY1KDM4E | |
| SCHEMBL7093516 | 0.81 | P2RX7 (0.83) | P2RX7YWHAGYWHAZP2RY1KDM4E | |
| SCHEMBL25236715 | 0.81 | P2RX7 (0.68) | P2RX7YWHAGYWHAZP2RY1KDM4E | |
| SCHEMBL16325955 | 0.81 | MAPT (0.79) | P2RX7YWHAGYWHAZP2RY1KDM4E | |
| SCHEMBL7094321 | 0.80 | P2RX7 (0.79) | P2RX7YWHAGYWHAZP2RY1KDM4E |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6638921-B1 | Pharmaceutically acceptable derivatives thereof Cx, R1 and R2 being as defined in the disclosure may be used to inhibit the activity of HIV integrase. | PHARMACOR INC. (CA) | 2003-10-28 | — | — | US | disclosed |
| WO-2003082881-A2 | PYRIDOXAL-5-PHOSPHATE DERIVATIVES AS HIV INTEGRASE INHIBITORS | PROCYON BIOPHARMA INC. (CA) | 2003-10-09 | — | — | WO | disclosed |