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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD3 known ✓ | P35462 | 1/20 | 0.47 |
| ▸ | ESR1 | P03372 | 11/20 | 0.65 |
| ▸ | ESR2 | Q92731 | 11/20 | 0.65 |
| ▸ | EBP | Q15125 | 1/20 | 0.54 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.54 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.51 |
| ▸ | LTA4H | P09960 | 1/20 | 0.50 |
| ▸ | PSMB1 | P20618 | 1/20 | 0.50 |
| ▸ | PSMB5 | P28074 | 1/20 | 0.50 |
| ▸ | PSMB2 | P49721 | 1/20 | 0.50 |
| ▸ | ENPP3 | O14638 | 1/20 | 0.48 |
| ▸ | ENPP1 | P22413 | 1/20 | 0.48 |
| ▸ | HRH1 | P35367 | 1/20 | 0.47 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL4651968 | 0.96 | ESR1 (0.70) | ESR1ESR2EBPSIGMAR1MCHR1 | |
| SCHEMBL4650720 | 0.96 | ESR1 (0.70) | ESR1ESR2EBPSIGMAR1MCHR1 | |
| Trioxifene SCHEMBL4651963 | 0.95 | ESR1 (0.69) | ESR1ESR2EBPSIGMAR1MCHR1 | |
| Trioxifene SCHEMBL29464170 | 0.95 | ESR1 (0.69) | ESR1ESR2EBPSIGMAR1MCHR1 | |
| Trioxifene SCHEMBL7753024 | 0.94 | ESR1 (0.68) | ESR1ESR2EBPSIGMAR1MCHR1 | |
| SCHEMBL6592276 | 0.91 | ESR1 (0.76) | ESR1ESR2EBPSIGMAR1MCHR1 | |
| SCHEMBL3863139 | 0.89 | ESR1 (0.78) | ESR1ESR2EBPSIGMAR1LTA4H | |
| SCHEMBL13897604 | 0.89 | ESR1 (0.78) | ESR1ESR2EBPSIGMAR1LTA4H | |
| SCHEMBL11179589 | 0.88 | ESR1 (0.83) | ESR1ESR2EBPSIGMAR1MCHR1 | |
| SCHEMBL6595870 | 0.88 | ESR1 (0.83) | ESR1ESR2EBPSIGMAR1MCHR1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0832883-B1 | Tetrahydrobenzo(a)fluorene compounds and methods of use | LILLY CO ELI (US) | 2002-04-03 | — | — | EP | disclosed |
| EP-0832883-A1 | Tetrahydrobenzo(a)fluorene compounds and methods of use | ELI LILLY AND COMPANY (US) | 1998-04-01 | — | — | EP | disclosed |