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 | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.54 |
| ▸ | ESR1 | P03372 | 2/20 | 0.45 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 3/20 | 0.42 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 2/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA4 | P22748 | 1/20 | 0.39 |
| ▸ | CA6 | P23280 | 1/20 | 0.39 |
| ▸ | CA5A | P35218 | 1/20 | 0.39 |
| ▸ | CA7 | P43166 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.39 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | IDH1 | O75874 | 1/20 | 0.36 |
| ▸ | PLA2G10 | O15496 | 1/20 | 0.35 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| Bromide SCHEMBL7295251 | 0.83 | LTA4H (0.50) | TDP1ESR1ESR2CYP3A4CA2 | |
| SCHEMBL3884966 | 0.82 | TDP1 (0.80) | TDP1CA2CALM1CA1TSHR | |
| Iodide SCHEMBL11894591 | 0.78 | CYP3A4 (0.44) | TDP1ESR1ESR2CYP3A4CA2 | |
| Diphenylmethane SCHEMBL7563838 | 0.77 | CYP3A4 (0.67) | TDP1ESR1ESR2CYP3A4CA2 | |
| SCHEMBL7719756 | 0.77 | CA2 (0.65) | TDP1ESR1ESR2CYP3A4CA2 | |
| SCHEMBL9196397 | 0.76 | TSHR (0.74) | TDP1TSHRLMNAALDH1A1MAPT | |
| SCHEMBL19052285 | 0.76 | TSHR (0.59) | TDP1ESR1ESR2CYP3A4CA2 | |
| Ethylene Glycol SCHEMBL28065173 | 0.75 | TDP1 (0.71) | TDP1ESR1ESR2CYP3A4CA2 | |
| Phenylethyl Alcohol SCHEMBL27700460 | 0.75 | TDP1 (0.94) | TDP1CA2CA1TSHRALDH1A1 | |
| Hydrochloric Acid SCHEMBL2068170 | 0.74 | IDH1 (0.44) | TDP1ESR1ESR2CYP3A4CALM1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9603833-B2 | Benzene or thiophene derivative and use thereof as VAP-1 inhibitor | R-TECH UENO, LTD. (JP) | 2017-03-28 | — | — | US | disclosed |
| US-20150166525-A1 | BENZENE OR THIOPHENE DERIVATIVE AND USE THEREOF AS VAP-1 INHIBITOR | R TECH UENO LTD (JP) | 2015-06-18 | — | — | US | disclosed |
| US-8999989-B2 | Benzene or thiophene derivative and use thereof as VAP-1 inhibitor | R-TECH UENO, LTD. (JP) | 2015-04-07 | — | — | US | disclosed |
| US-20110059957-A1 | BENZENE OR THIOPHENE DERIVATIVE AND USE THEREOF AS VAP-1 INHIBITOR | R-TECH UENO, LTD. (JP) | 2011-03-10 | — | — | US | 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 (2 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-20150166525-A1 | BENZENE OR THIOPHENE DERIVATIVE AND USE THEREOF AS VAP-1 INHIBITOR | VAPB, VAPA, BET1 | TDP1 274/4885ESR1 3468/4885ESR2 3424/4885 |
| US-20110059957-A1 | BENZENE OR THIOPHENE DERIVATIVE AND USE THEREOF AS VAP-1 INHIBITOR | VAPB, VAPA, BET1 | TDP1 274/4885ESR1 3468/4885ESR2 3424/4885 |
“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.