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 | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.62 |
| ▸ | CA2 | P00918 | 7/20 | 0.53 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.49 |
| ▸ | KCNJ1 | P48048 | 3/20 | 0.49 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.46 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.46 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 4/20 | 0.46 |
| ▸ | CA12 | O43570 | 2/20 | 0.46 |
| ▸ | CA4 | P22748 | 2/20 | 0.46 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.44 |
| ▸ | MMP1 | P03956 | 1/20 | 0.44 |
| ▸ | MMP2 | P08253 | 1/20 | 0.44 |
| ▸ | MMP9 | P14780 | 1/20 | 0.44 |
| ▸ | MMP8 | P22894 | 1/20 | 0.44 |
| ▸ | MMP13 | P45452 | 1/20 | 0.44 |
| ▸ | CA3 | P07451 | 1/20 | 0.44 |
| ▸ | CA6 | P23280 | 1/20 | 0.44 |
| ▸ | CA5A | P35218 | 1/20 | 0.44 |
| ▸ | CA7 | P43166 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL358325 | 0.90 | TSHR (0.75) | TSHRCA2KCNH2KCNJ1CYP4F2 | |
| SCHEMBL11364453 | 0.89 | TSHR (0.79) | TSHRCA2KCNH2KCNJ1CHRM2 | |
| SCHEMBL10879042 | 0.89 | TSHR (0.72) | TSHRCA2KCNH2KCNJ1CHRM2 | |
| SCHEMBL6455031 | 0.89 | TSHR (0.72) | TSHRCA2KCNH2KCNJ1CHRM2 | |
| SCHEMBL9545598 | 0.89 | TSHR (0.72) | TSHRCA2KCNH2KCNJ1CHRM2 | |
| SCHEMBL378397 | 0.85 | TSHR (0.78) | TSHRCA2KCNH2KCNJ1CHRM2 | |
| SCHEMBL7330213 | 0.82 | HSD17B10 (0.50) | TSHRKCNH2KCNJ1 | |
| SCHEMBL9194346 | 0.81 | CHRM2 (0.62) | TSHRCA2KCNH2KCNJ1CHRM2 | |
| SCHEMBL18913824 | 0.81 | TSHR (0.69) | TSHRKCNH2KCNJ1CHRM2 | |
| SCHEMBL9325422 | 0.81 | TSHR (0.56) | TSHRCA2KCNH2KCNJ1CHRM2 |
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-0603314-A4 | CHEMICAL COMPOUNDS. | SMITHKLINE BEECHAM CORP (US) | 1994-08-24 | — | — | EP | disclosed |
| EP-0603314-A1 | CHEMICAL COMPOUNDS | SMITHKLINE BEECHAM CORPORATION (US) | 1994-06-29 | — | — | EP | disclosed |
| WO-1993004686-A1 | CHEMICAL COMPOUNDS | SMITHKLINE BEECHAM CORPORATION (US) | 1993-03-18 | — | — | WO | disclosed |