Known targets — ChEMBL curated mechanism
ACHECHKACHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGHRH2OPRM1
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 | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 4/20 | 0.60 |
| ▸ | RAB9A | P51151 | 3/20 | 0.60 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.60 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.52 |
| ▸ | LMNA | P02545 | 1/20 | 0.52 |
| ▸ | CASP3 | P42574 | 1/20 | 0.52 |
| ▸ | HTT | P42858 | 1/20 | 0.52 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.52 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.52 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.52 |
| ▸ | AOC3 | Q16853 | 8/20 | 0.50 |
| ▸ | MAOB | P27338 | 1/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | CDK5 | Q00535 | 2/20 | 0.46 |
| ▸ | CDK5R1 | Q15078 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL971129 | 0.97 | NPC1 (0.60) | NPC1RAB9ASMN1; SMN2KMT2AALDH1A1 | |
| Hydrochloric Acid SCHEMBL4886963 | 0.77 | NPSR1 (0.46) | NPC1RAB9ASMN1; SMN2KMT2AALDH1A1 | |
| SCHEMBL8430108 | 0.77 | AOC3 (0.76) | NPC1RAB9ASMN1; SMN2KMT2AAOC3 | |
| SCHEMBL12763764 | 0.76 | SMN1; SMN2 (0.67) | NPC1RAB9ASMN1; SMN2KMT2AALDH1A1 | |
| SCHEMBL12947794 | 0.75 | NPC1 (0.61) | NPC1RAB9ASMN1; SMN2KMT2AALDH1A1 | |
| SCHEMBL4871628 | 0.75 | RAB9A (1.00) | NPC1RAB9ASMN1; SMN2KMT2AALDH1A1 | |
| SCHEMBL2788439 | 0.74 | SMN1; SMN2 (0.69) | NPC1RAB9ASMN1; SMN2KMT2AALDH1A1 | |
| Bromide SCHEMBL7487077 | 0.74 | SLC6A3 (0.51) | SMN1; SMN2KMT2AALDH1A1LMNAHTT | |
| Hydrochloric Acid SCHEMBL4886515 | 0.74 | BRD4 (0.38) | NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E | |
| SCHEMBL3933173 | 0.74 | SMN1; SMN2 (0.73) | NPC1RAB9ASMN1; SMN2KMT2AALDH1A1 |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2650287-B9 | Thiazole Derivative and use thereof as VAP-1 Inhibitor | R TECH UENO LTD (JP) | 2015-08-05 | — | — | EP | disclosed |
| EP-2639229-B9 | Thiazole Derivative and use thereof as VAP-1 Inhibitor | R TECH UENO LTD (JP) | 2015-08-05 | — | — | EP | disclosed |
| EP-2676955-B1 | Thiazole Derivative and use thereof as VAP-1 Inhibitor | R TECH UENO LTD (JP) | 2015-03-11 | — | — | EP | disclosed |
| EP-2650287-B1 | Thiazole Derivative and use thereof as VAP-1 Inhibitor | R TECH UENO LTD (JP) | 2014-12-03 | — | — | EP | disclosed |
| EP-2639229-B1 | Thiazole Derivative and use thereof as VAP-1 Inhibitor | R TECH UENO LTD (JP) | 2014-11-26 | — | — | EP | disclosed |
| EP-2676955-A1 | Thiazole Derivative and use thereof as VAP-1 Inhibitor | R-Tech Ueno, Ltd. (JP) | 2013-12-25 | — | — | EP | disclosed |
| EP-2650287-A1 | Thiazole Derivative and use thereof as VAP-1 Inhibitor | R-Tech Ueno, Ltd. (JP) | 2013-10-16 | — | — | EP | disclosed |
| EP-2639229-A2 | Thiazole Derivative and use thereof as VAP-1 Inhibitor | R-Tech Ueno, Ltd. (JP) | 2013-09-18 | — | — | EP | disclosed |
| US-8507690-B2 | Thiazole derivative and use thereof as VAP-1 inhibitor | R-TECH UENO, LTD. (JP) | 2013-08-13 | — | — | US | disclosed |
| US-20110015240-A1 | THIAZOLE DERIVATIVE AND USE THEREOF AS VAP-1 INHIBITOR | R-TECH UENO, LTD. (JP) | 2011-01-20 | — | — | US | disclosed |
| EP-2252604-A1 | THIAZOLE DERIVATIVE AND USE THEREOF AS VAP-1 INHIBITOR | R-Tech Ueno, Ltd. (JP) | 2010-11-24 | — | — | EP | disclosed |
| WO-2009096609-A1 | THIAZOLE DERIVATIVE AND USE THEREOF AS VAP-1 INHIBITOR | R-TECH UENO, LTD. (JP) | 2009-08-06 | — | — | 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-20110015240-A1 | THIAZOLE DERIVATIVE AND USE THEREOF AS VAP-1 INHIBITOR | VAPB, TAS1R1, VAPA | NPC1 36/4885RAB9A 1579/4885SMN1; SMN2 879/4885 |
“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.