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 | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.50 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.47 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.47 |
| ▸ | GRM1 | Q13255 | 10/20 | 0.47 |
| ▸ | GRM4 | Q14833 | 8/20 | 0.47 |
| ▸ | ANPEP | P15144 | 1/20 | 0.46 |
| ▸ | DPP4 | P27487 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | TSHR | P16473 | 2/20 | 0.45 |
| ▸ | CASP1 | P29466 | 2/20 | 0.45 |
| ▸ | RAB9A | P51151 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | CASP7 | P55210 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL1548403 | 0.92 | ESR1 (0.54) | ESR1ESR2CYP3A4NFKB1PMP22 | |
| SCHEMBL11620230 | 0.90 | NPC1 (0.48) | ESR1ESR2CYP3A4NFKB1PMP22 | |
| SCHEMBL5903417 | 0.82 | ESR1 (0.61) | ESR1ESR2GRM1GRM4MEN1 | |
| SCHEMBL11615649 | 0.81 | ALDH1A1 (0.55) | ESR1ESR2CYP3A4NFKB1PMP22 | |
| SCHEMBL11723903 | 0.81 | ESR1 (0.50) | ESR1ESR2CYP3A4NFKB1PMP22 | |
| SCHEMBL11719527 | 0.80 | CYP3A4 (0.47) | ESR1ESR2CYP3A4NFKB1PMP22 | |
| SCHEMBL8216651 | 0.79 | ESR1 (0.42) | ESR1ESR2CYP3A4NFKB1PMP22 | |
| SCHEMBL11721889 | 0.78 | CYP3A4 (0.74) | CYP3A4NFKB1PMP22GRM1GRM4 | |
| SCHEMBL11721594 | 0.78 | ALDH1A1 (0.62) | ESR1ESR2CYP3A4NFKB1PMP22 | |
| SCHEMBL11621409 | 0.76 | CYP3A4 (0.51) | ESR1ESR2CYP3A4NFKB1PMP22 |
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-4124593-A | ANTICONVULSANTS, EPILEPSY | CIBA-GEIGY CORPORATION (US) | 1978-11-07 | — | — | US | claimed |
| US-4124593-A | ANTICONVULSANTS, EPILEPSY | CIBA-GEIGY CORPORATION (US) | 1978-11-07 | — | — | US | disclosed |