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 | |
|---|---|---|---|---|
| ▸ | CCKBR | P32239 | 2/20 | 0.49 |
| ▸ | OPRK1 | P41145 | 4/20 | 0.48 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | HTR2B | P41595 | 1/20 | 0.42 |
| ▸ | BRD4 | O60885 | 5/20 | 0.41 |
| ▸ | BRD2 | P25440 | 1/20 | 0.41 |
| ▸ | BRD3 | Q15059 | 1/20 | 0.41 |
| ▸ | RECQL | P46063 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | GABRP | O00591 | 1/20 | 0.39 |
| ▸ | GABRD | O14764 | 1/20 | 0.39 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.39 |
| ▸ | ALB | P02768 | 1/20 | 0.39 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.39 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.39 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.39 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL11116621 | 0.93 | OPRK1 (0.54) | CCKBROPRK1PDE4DLMNAPDE3A | |
| SCHEMBL11713995 | 0.85 | OPRK1 (0.53) | CCKBROPRK1PDE4DLMNAPDE3A | |
| SCHEMBL10811993 | 0.82 | OPRK1 (0.55) | CCKBROPRK1PDE4DLMNAPDE3A | |
| SCHEMBL7895739 | 0.81 | OPRK1 (0.56) | CCKBROPRK1PDE4DLMNAPDE3A | |
| SCHEMBL19006657 | 0.80 | CCKBR (0.51) | CCKBROPRK1PDE4D | |
| SCHEMBL19006733 | 0.80 | CCKBR (0.51) | CCKBROPRK1PDE4D | |
| SCHEMBL5160251 | 0.77 | OPRK1 (0.58) | CCKBROPRK1PDE4DLMNAPDE3A | |
| SCHEMBL11084788 | 0.76 | OPRK1 (0.49) | CCKBROPRK1PDE4DLMNAPDE3A | |
| SCHEMBL11608679 | 0.75 | OPRK1 (0.45) | CCKBROPRK1PDE4DGABRA1GABRG2 | |
| SCHEMBL11034765 | 0.74 | OPRK1 (0.55) | CCKBROPRK1PDE4DLMNAPDE3A |
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 |
|---|---|---|---|---|---|---|---|
| EP-0117140-A1 | Triazolobenzodiazepines for anti-psychotic use | THE UPJOHN COMPANY (US) | 1984-08-29 | — | — | EP | claimed |