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 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSK | P43235 | 13/20 | 0.45 |
| ▸ | CTSS | P25774 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL5487455 | 0.94 | CTSK (0.49) | CTSKCTSS | |
| SCHEMBL5492762 | 0.94 | CTSK (0.49) | CTSKCTSS | |
| SCHEMBL5487452 | 0.94 | CTSK (0.49) | CTSKCTSS | |
| SCHEMBL4785473 | 0.94 | CTSK (0.49) | CTSKCTSS | |
| SCHEMBL24177101 | 0.93 | CTSK (0.50) | CTSKCTSS | |
| SCHEMBL8089276 | 0.88 | CTSK (0.55) | CTSKCTSS | |
| SCHEMBL2770105 | 0.88 | CTSK (0.55) | CTSKCTSS | |
| SCHEMBL2074989 | 0.88 | CTSK (0.55) | CTSKCTSS | |
| SCHEMBL22661716 | 0.87 | CTSK (0.52) | CTSKCTSS | |
| SCHEMBL18993567 | 0.85 | CTSK (0.55) | CTSKCTSS |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008059014-A2 | ANTITUBERCULOSIS AGENTS WITH ALKYLIDENE OR ALKYL SIDE CHAIN | UNIVERSIDAD DE SALAMANCA (ES) | 2008-05-22 | — | — | WO | disclosed |