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 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | GRIA1 | P42261 | 3/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL571433 | 0.82 | — | — | |
| Isobutanol SCHEMBL27871381 | 0.79 | TSHR (0.60) | TSHRTDP1TP53GRIA1CA2 | |
| Propylene Glycol SCHEMBL575555 | 0.77 | TDP1 (0.62) | TSHRTDP1TP53GRIA1CA2 | |
| SCHEMBL7621808 | 0.76 | TDP1 (0.38) | TSHRTDP1TP53GRIA1CA2 | |
| L-Alaninol SCHEMBL11142156 | 0.74 | TP53 (0.44) | TSHRTDP1TP53GRIA1CA2 | |
| SCHEMBL17091466 | 0.72 | TSHR (0.35) | TSHRTDP1TP53 | |
| SCHEMBL25291433 | 0.71 | TP53 (0.36) | TSHRTDP1TP53CA2 | |
| Glycerin SCHEMBL2057883 | 0.71 | LMNA (0.56) | TSHRTDP1TP53CA2 | |
| Glycerin SCHEMBL1955480 | 0.71 | LMNA (0.56) | TSHRTDP1TP53CA2 | |
| E968 SCHEMBL2057976 | 0.71 | LMNA (0.42) | TSHRTDP1TP53CA2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0372816-B1 | NOVEL HETEROCYCLIC PESTICIDAL COMPOUNDS | THE WELLCOME FOUNDATION LIMITED (GB) | 1992-07-29 | — | — | EP | disclosed |
| WO-1990006304-A1 | NOVEL HETEROCYCLIC PESTICIDAL COMPOUNDS | THE WELLCOME FOUNDATION LIMITED (GB) | 1990-06-14 | — | — | WO | disclosed |
| EP-0372816-A1 | Novel heterocyclic pesticidal compounds | THE WELLCOME FOUNDATION LIMITED (GB) | 1990-06-13 | — | — | EP | disclosed |