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 | |
|---|---|---|---|---|
| ▸ | GHSR known ✓ | Q92847 | 2/20 | 0.36 |
| ▸ | AGTR1 known ✓ | P30556 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | PTPRB | P23467 | 1/20 | 0.42 |
| ▸ | CTSS | P25774 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | AR | P10275 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | BACE1 | P56817 | 2/20 | 0.35 |
| ▸ | AAK1 | Q2M2I8 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL9788219 | 0.92 | POLB (0.54) | KDM4EPOLBCTSSTSHRCA1 | |
| SCHEMBL9788254 | 0.82 | CA1 (0.38) | KDM4EPOLBPTPRBCTSSTSHR | |
| SCHEMBL5375962 | 0.77 | KDM4E (0.67) | KDM4EPOLBTSHRCA1ALDH1A1 | |
| SCHEMBL8307260 | 0.77 | KDM4E (0.67) | KDM4EPOLBTSHRCA1ALDH1A1 | |
| SCHEMBL3549969 | 0.77 | KDM4E (0.67) | KDM4EPOLBTSHRCA1ALDH1A1 | |
| SCHEMBL28776948 | 0.75 | TSHR (0.65) | KDM4EPTPRBTSHRCA1SMN1; SMN2 | |
| SCHEMBL8352022 | 0.75 | KDM4E (0.59) | KDM4EPOLBPTPRBTSHRCA1 | |
| SCHEMBL10704165 | 0.75 | KDM4E (0.59) | KDM4EPOLBPTPRBTSHRCA1 | |
| SCHEMBL29705157 | 0.74 | KDM4E (0.62) | KDM4EPOLBTSHRCA1ALDH1A1 | |
| SCHEMBL18929793 | 0.73 | KDM4E (0.57) | KDM4EPOLBPTPRBTSHRCA1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4985582-A | CHEMICAL INTERMEDIATES FOR BICYCLIC RING COMPOUNDS HAVING MULTIPLE SULFUR ATOMS IN THE RING SYSTEM | THE WELLCOME FOUNDATION LTD. (GB) | 1991-01-15 | — | — | US | disclosed |
| EP-0216625-A2 | Pesticidal compounds | THE WELLCOME FOUNDATION LIMITED (GB) | 1987-04-01 | — | — | EP | disclosed |