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 | |
|---|---|---|---|---|
| ▸ | PLA2G2A | P14555 | 4/20 | 0.54 |
| ▸ | PLA2G10 | O15496 | 3/20 | 0.54 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.47 |
| ▸ | HNF4A | P41235 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 3/20 | 0.42 |
| ▸ | GAA | P10253 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.42 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
| ▸ | HPGD | P15428 | 3/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | IDH1 | O75874 | 1/20 | 0.41 |
| ▸ | RGS12 | O14924 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.41 |
| ▸ | APEX1 | P27695 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL4557746 | 0.85 | AKR1B1 (0.64) | PLA2G2APLA2G10AKR1B1HNF4ALMNA | |
| Acetic Acid SCHEMBL9783357 | 0.80 | AKR1B1 (0.57) | PLA2G2APLA2G10AKR1B1HNF4ALMNA | |
| Hydrochloric Acid SCHEMBL2068170 | 0.80 | IDH1 (0.44) | PLA2G2APLA2G10HNF4ALMNATSHR | |
| SCHEMBL10982048 | 0.76 | CYP3A4 (0.52) | PLA2G2APLA2G10HNF4AIDH1TDP1 | |
| SCHEMBL5696415 | 0.76 | AKR1B1 (0.81) | PLA2G2APLA2G10AKR1B1LMNAGAA | |
| SCHEMBL70565 | 0.76 | AKR1B1 (0.71) | AKR1B1LMNAGAATSHRABCC4 | |
| Hydrochloric Acid SCHEMBL10986464 | 0.75 | CYP3A4 (0.50) | HNF4AKDM4EMAPTIDH1TDP1 | |
| Hydrochloric Acid SCHEMBL8922940 | 0.74 | AKR1B1 (0.68) | AKR1B1LMNAGAATSHRABCC4 | |
| Diphenylmethane SCHEMBL7563838 | 0.74 | CYP3A4 (0.67) | PLA2G2APLA2G10LMNAGAATSHR | |
| SCHEMBL11143386 | 0.72 | AKR1B1 (0.55) | PLA2G2APLA2G10AKR1B1LMNAGAA |
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 |
|---|---|---|---|---|---|---|---|
| US-9603833-B2 | Benzene or thiophene derivative and use thereof as VAP-1 inhibitor | R-TECH UENO, LTD. (JP) | 2017-03-28 | — | — | US | disclosed |
| EP-2886534-A1 | Benzene or thiophene derivative and use thereof as VAP-1 inhibitor | R-Tech Ueno, Ltd. (JP) | 2015-06-24 | — | — | EP | 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 | PLA2G2A 4599/4885PLA2G10 3993/4885AKR1B1 1808/4885 |
| US-20110059957-A1 | BENZENE OR THIOPHENE DERIVATIVE AND USE THEREOF AS VAP-1 INHIBITOR | VAPB, VAPA, BET1 | PLA2G2A 4599/4885PLA2G10 3993/4885AKR1B1 1808/4885 |
“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.