Known targets — ChEMBL curated mechanism
ACHEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3APH1AAPH1BCHRM2CHRM3EZH2GRIN2AHTR1AHTR1BHTR1DHTR1FHTR3ANCSTNP2RY12PSEN1PSEN2PSENENSIGMAR1SLC6A2SLC6A3SLC6A4
The experimentally established mechanism targets of Bromide. 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 | 0.58 |
| ▸ | RAB9A | P51151 | 2/20 | 0.54 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.49 |
| ▸ | CYP4F2 | P78329 | 2/20 | 0.47 |
| ▸ | CYP4A11 | Q02928 | 2/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.46 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.46 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.46 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| Methyl Benzoate SCHEMBL28154074 | 0.88 | TSHR (0.76) | TSHRRAB9APOLBALDH1A1CYP3A4 | |
| SCHEMBL10484479 | 0.86 | TSHR (0.57) | TSHRRAB9APOLBALDH1A1CYP3A4 | |
| SCHEMBL9340188 | 0.82 | TSHR (0.67) | TSHRRAB9APOLBALDH1A1HPGD | |
| SCHEMBL10484531 | 0.82 | TSHR (0.67) | TSHRRAB9APOLBALDH1A1HPGD | |
| SCHEMBL9875461 | 0.82 | LOXL2 (0.56) | TSHRRAB9ALOXL2CYP4F2CYP4A11 | |
| SCHEMBL9440687 | 0.82 | KMT2A (0.50) | TSHRRAB9APOLBALDH1A1HPGD | |
| SCHEMBL1636089 | 0.80 | ALDH1A1 (0.48) | TSHRRAB9ALOXL2CYP4F2CYP4A11 | |
| Methyl Benzoate SCHEMBL28106657 | 0.80 | TSHR (0.83) | TSHRRAB9ALOXL2CYP4F2CYP4A11 | |
| SCHEMBL3390904 | 0.79 | KMT2A (0.51) | RAB9APOLBALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL9340230 | 0.78 | KMO (0.53) | TSHRCYP1A2CYP3A4CYP2C9HPGD |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2456783-B1 | 17-HYDROXY-17-PENTAFLUORETHYL-ESTRA-4,9(10)-DIEN-11-ETHINYLPHENYL DERIVATIVES, METHODS FOR THE PRODUCTION THEREOF AND USE THEREOF FOR TREATING DISEASES | BAYER IP GMBH (DE) | 2015-08-19 | — | — | EP | disclosed |
| US-9102701-B2 | 17-hydroxy-17-pentafluoroethyl-estra-4,9(10)-diene-11-ethynylphenyl derivatives, methods for the production thereof and use thereof for treating diseases | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2015-08-11 | — | — | US | disclosed |
| US-20120190660-A1 | 17-HYDROXY-17-PENTAFLUOROETHYL-ESTRA-4,9(10)-DIENE-11-ETHYNYLPHENYL DERIVATIVES, METHODS FOR THE PRODUCTION THEREOF AND USE THEREOF FOR TREATING DISEASES | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2012-07-26 | — | — | US | disclosed |
| EP-2456783-A2 | 17-HYDROXY-17-PENTAFLUORETHYL-ESTRA-4,9(10)-DIEN-11-ETHINYLPHENYL DERIVATIVES, METHODS FOR THE PRODUCTION THEREOF AND USE THEREOF FOR TREATING DISEASES | Bayer Pharma Aktiengesellschaft (DE) | 2012-05-30 | — | — | EP | disclosed |
| WO-2011009533-A2 | 17-HYDROXY-17-PENTAFLUORETHYL-ESTRA-4,9(10)-DIEN-11-ETHINYLPHENYL DERIVATIVES, METHODS FOR THE PRODUCTION THEREOF AND USE THEREOF FOR TREATING DISEASES | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2011-01-27 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20120190660-A1 | 17-HYDROXY-17-PENTAFLUOROETHYL-ESTRA-4,9(10)-DIENE-11-ETHYNYLPHENYL DERIVATIVES, METHODS FOR THE PRODUCTION THEREOF AND USE THEREOF FOR TREATING DISEASES | HSD17B11, CYP17A1, CYP19A1 | TSHR 542/4885RAB9A 2382/4885LOXL2 2113/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.