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 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR2 | P41597 | 5/20 | 0.57 |
| ▸ | CCR5 | P51681 | 16/20 | 0.52 |
| ▸ | CXCR3 | P49682 | 3/20 | 0.40 |
| ▸ | CCR7 | P32248 | 2/20 | 0.40 |
| ▸ | CXCR5 | P32302 | 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 | |
|---|---|---|---|---|
| SCHEMBL7928215 | 0.97 | CCR2 (0.60) | CCR2CCR5CXCR3CCR7CXCR5 | |
| Hydrochloric Acid SCHEMBL7975094 | 0.96 | CCR2 (0.59) | CCR2CCR5CXCR3CCR7CXCR5 | |
| SCHEMBL7969651 | 0.92 | CCR2 (0.53) | CCR2CCR5CXCR3CCR7CXCR5 | |
| SCHEMBL3036000 | 0.92 | CCR2 (0.58) | CCR2CCR5CXCR3CCR7CXCR5 | |
| SCHEMBL3031528 | 0.92 | CCR2 (0.58) | CCR2CCR5CXCR3CCR7CXCR5 | |
| SCHEMBL30227218 | 0.92 | CCR2 (0.58) | CCR2CCR5CXCR3CCR7CXCR5 | |
| SCHEMBL7931566 | 0.91 | CCR2 (0.58) | CCR2CCR5CXCR3CCR7CXCR5 | |
| SCHEMBL3039378 | 0.91 | CCR2 (0.58) | CCR2CCR5CXCR3CCR7CXCR5 | |
| SCHEMBL7958752 | 0.91 | CCR2 (0.56) | CCR2CCR5CXCR3CCR7CXCR5 | |
| Hydrochloric Acid SCHEMBL7968773 | 0.91 | CCR2 (0.58) | CCR2CCR5CXCR3CCR7CXCR5 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6235771-B1 | AIDS THERPAY | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2001-05-22 | — | — | US | disclosed |