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 | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.51 |
| ▸ | SLC2A1 | P11166 | 2/20 | 0.48 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.47 |
| ▸ | CNR1 | P21554 | 1/20 | 0.46 |
| ▸ | NOS3 | P29474 | 2/20 | 0.43 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.43 |
| ▸ | NOS1 | P29475 | 1/20 | 0.43 |
| ▸ | NOS2 | P35228 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 4/20 | 0.42 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.42 |
| ▸ | F7 | P08709 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 3/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 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 | |
|---|---|---|---|---|
| SCHEMBL7597938 | 0.96 | CYP1A2 (0.55) | CYP1A2CYP3A4CYP2D6CYP2C19SLC2A1 | |
| SCHEMBL7595893 | 0.79 | CYP1A2 (0.60) | CYP1A2CYP3A4CYP2D6CYP2C19SLC2A1 | |
| SCHEMBL9037983 | 0.77 | CYP1A2 (0.56) | CYP1A2CYP3A4CYP2D6CYP2C19SLC2A1 | |
| Hydrochloric Acid SCHEMBL6956565 | 0.76 | CYP1A2 (0.58) | CYP1A2CYP3A4CYP2D6CYP2C19SLC2A1 | |
| SCHEMBL7599284 | 0.75 | CYP1A2 (0.60) | CYP1A2CYP3A4CYP2D6CYP2C19SLC2A1 | |
| SCHEMBL29521416 | 0.75 | HDAC1 (0.64) | CYP1A2CYP3A4CYP2D6CYP2C19SLC2A1 | |
| SCHEMBL21114827 | 0.75 | HDAC1 (0.64) | CYP1A2CYP3A4CYP2D6CYP2C19SLC2A1 | |
| SCHEMBL579570 | 0.74 | CYP1A2 (0.53) | CYP1A2CYP3A4CYP2D6CYP2C19SLC2A1 | |
| SCHEMBL122445 | 0.73 | NOS3 (0.64) | CYP1A2CYP3A4CYP2D6CYP2C19SLC2A1 | |
| SCHEMBL29558856 | 0.73 | NOS3 (0.64) | CYP1A2CYP3A4CYP2D6CYP2C19SLC2A1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0782567-B2 | ISOTHIOUREA DERIVATIVES AS NO SYNTHASE INHIBITORS | ASTRA AB (SE) | 2002-12-11 | — | — | EP | disclosed |
| EP-0782567-B1 | ISOTHIOUREA DERIVATIVES AS NO SYNTHASE INHIBITORS | ASTRA AB (SE) | 1999-06-30 | — | — | EP | disclosed |
| US-5721247-A | Isothiourea derivatives useful in therapy | ASTRA AKTIEBOLAG (SE) | 1998-02-24 | — | — | US | disclosed |
| EP-0782567-A1 | ISOTHIOUREA DERIVATIVES AS NO SYNTHASE INHIBITORS | Astra Aktiebolag (SE) | 1997-07-09 | — | — | EP | disclosed |
| WO-1996009286-A1 | ISOTHIOUREA DERIVATIVES AS NO SYNTHASE INHIBITORS | ASTRA AKTIEBOLAG (SE) | 1996-03-28 | — | — | WO | disclosed |