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 | |
|---|---|---|---|---|
| ▸ | AGTR1 known ✓ | P30556 | 1/20 | 0.47 |
| ▸ | ATM | Q13315 | 1/20 | 0.65 |
| ▸ | APP | P05067 | 4/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.53 |
| ▸ | CTSS | P25774 | 3/20 | 0.53 |
| ▸ | CTSK | P43235 | 2/20 | 0.53 |
| ▸ | CTSL | P07711 | 1/20 | 0.53 |
| ▸ | CTSB | P07858 | 1/20 | 0.53 |
| ▸ | ACE | P12821 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | LMNA | P02545 | 2/20 | 0.50 |
| ▸ | PKM | P14618 | 2/20 | 0.50 |
| ▸ | HPGD | P15428 | 2/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
| ▸ | HTT | P42858 | 2/20 | 0.50 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.50 |
| ▸ | CA12 | O43570 | 1/20 | 0.50 |
| ▸ | CA1 | P00915 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL271855 | 0.95 | ATM (0.71) | ATMAPPCYP3A4MAPK1CTSS | |
| SCHEMBL1529562 | 0.95 | ATM (0.71) | ATMAPPCYP3A4MAPK1CTSS | |
| SCHEMBL257912 | 0.95 | ATM (0.71) | ATMAPPCYP3A4MAPK1CTSS | |
| SCHEMBL10849950 | 0.89 | ATM (0.56) | ATMAPPCYP3A4MAPK1CTSS | |
| SCHEMBL10849945 | 0.89 | ATM (0.56) | ATMAPPCYP3A4MAPK1CTSS | |
| SCHEMBL7375068 | 0.87 | CTSK (0.55) | ATMAPPCTSSCTSKCTSL | |
| SCHEMBL7729227 | 0.87 | CTSK (0.55) | ATMAPPCTSSCTSKCTSL | |
| SCHEMBL1531589 | 0.87 | CTSS (0.62) | ATMAPPCYP3A4MAPK1CTSS | |
| SCHEMBL1531592 | 0.87 | CTSS (0.62) | ATMAPPCYP3A4MAPK1CTSS | |
| SCHEMBL15521493 | 0.87 | CTSS (0.62) | ATMAPPCYP3A4MAPK1CTSS |
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-6245746-B1 | ADMINISTERING AMIDE MICROBIOCIDE ANTIBIOTIC | MICROCIDE PHARMACEUTICALS, INC. | 2001-06-12 | — | — | US | disclosed |
| US-6114310-A | THERAPY FOR MICROBIAL INFECTIONS | MICROCIDE PHARMACEUTICALS, INC. (US) | 2000-09-05 | — | — | US | disclosed |
| WO-1999037667-A1 | EFFLUX PUMP INHIBITORS | MICROCIDE PHARMACEUTICALS, INC. (US) | 1999-07-29 | — | — | WO | disclosed |