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 | 2/20 | 0.43 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 10/20 | 0.39 |
| ▸ | POLB | P06746 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.39 |
| ▸ | LMNA | P02545 | 5/20 | 0.39 |
| ▸ | MEN1 | O00255 | 4/20 | 0.39 |
| ▸ | GAA | P10253 | 4/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | USP2 | O75604 | 2/20 | 0.38 |
| ▸ | TP53 | P04637 | 2/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL7529404 | 0.95 | ESR1 (0.45) | ESR1ESR2ALDH1A1KMT2ALMNA | |
| SCHEMBL11481224 | 0.88 | ESR1 (0.54) | ESR1ESR2ALDH1A1KMT2ALMNA | |
| SCHEMBL8609912 | 0.88 | ESR1 (0.51) | ESR1ESR2ALDH1A1POLBKMT2A | |
| SCHEMBL7532746 | 0.82 | ESR1 (0.65) | ESR1ESR2KDM4E | |
| SCHEMBL4651132 | 0.82 | ESR1 (0.40) | ESR1ESR2ALDH1A1KMT2ALMNA | |
| SCHEMBL7942835 | 0.81 | ALDH1A1 (0.46) | ESR1ESR2ALDH1A1KMT2ALMNA | |
| SCHEMBL7532740 | 0.80 | EBP (0.39) | ESR1ALDH1A1POLBKMT2ALMNA | |
| SCHEMBL7946063 | 0.78 | ESR1 (0.49) | ESR1ESR2ALDH1A1KMT2ALMNA | |
| SCHEMBL7529228 | 0.77 | P4HB (0.37) | ESR1ALDH1A1KMT2ALMNAMEN1 | |
| SCHEMBL7942846 | 0.77 | ESR1 (0.51) | ESR1ESR2ALDH1A1KMT2AGAA |
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 |