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 | |
|---|---|---|---|---|
| ▸ | EBP | Q15125 | 1/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.39 |
| ▸ | ESR1 | P03372 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.35 |
| ▸ | MAPT | P10636 | 5/20 | 0.35 |
| ▸ | TP53 | P04637 | 4/20 | 0.35 |
| ▸ | NPC1 | O15118 | 4/20 | 0.35 |
| ▸ | RAB9A | P51151 | 4/20 | 0.35 |
| ▸ | MEN1 | O00255 | 4/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | RECQL | P46063 | 1/20 | 0.35 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7529402 | 0.94 | EBP (0.41) | EBPSIGMAR1ESR1ALDH1A1MAPT | |
| SCHEMBL7531873 | 0.89 | EBP (0.44) | EBPSIGMAR1ESR1ALDH1A1MAPT | |
| SCHEMBL7529223 | 0.81 | EBP (0.44) | EBPSIGMAR1ESR1ALDH1A1MAPT | |
| SCHEMBL7528373 | 0.81 | EBP (0.44) | EBPSIGMAR1ESR1ALDH1A1MAPT | |
| SCHEMBL7532743 | 0.80 | ESR1 (0.43) | ESR1ALDH1A1MAPTTP53RAB9A | |
| SCHEMBL7530401 | 0.75 | EBP (0.49) | EBPSIGMAR1ESR1ALDH1A1MAPT | |
| SCHEMBL7529404 | 0.74 | ESR1 (0.45) | ESR1ALDH1A1MAPTTP53NPC1 | |
| SCHEMBL8625511 | 0.73 | EBP (0.64) | EBPSIGMAR1ESR1ALDH1A1MAPT | |
| SCHEMBL7529228 | 0.73 | P4HB (0.37) | EBPSIGMAR1ESR1ALDH1A1MAPT | |
| SCHEMBL7528378 | 0.72 | HPGD (0.37) | EBPSIGMAR1ESR1ALDH1A1MAPT |
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 1 patent. 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 |