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 | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.51 |
| ▸ | NPC1 | O15118 | 5/20 | 0.51 |
| ▸ | RAB9A | P51151 | 4/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | HPGD | P15428 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.50 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.49 |
| ▸ | NOTUM | Q6P988 | 2/20 | 0.49 |
| ▸ | LTA4H | P09960 | 1/20 | 0.48 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | PIM1 | P11309 | 1/20 | 0.43 |
| ▸ | PIM3 | Q86V86 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL3531828 | 0.99 | KDM4E (0.52) | KDM4ENPC1RAB9AALDH1A1CYP1A2 | |
| SCHEMBL1422965 | 0.78 | NPC1 (0.71) | KDM4ENPC1RAB9AALDH1A1CYP1A2 | |
| SCHEMBL2686537 | 0.77 | NOTUM (0.63) | KDM4ENPC1RAB9AALDH1A1CYP1A2 | |
| SCHEMBL16114401 | 0.74 | LMNA (0.75) | NPC1RAB9AALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL3787605 | 0.74 | TLR8 (0.72) | ALDH1A1HPGDHSD17B10CYP19A1NOTUM | |
| SCHEMBL30354928 | 0.73 | TDP1 (0.62) | NPC1RAB9AALDH1A1CYP3A4SMN1; SMN2 | |
| SCHEMBL77208 | 0.73 | TDP1 (0.62) | NPC1RAB9AALDH1A1CYP3A4SMN1; SMN2 | |
| SCHEMBL12015924 | 0.73 | GSK3B (0.63) | KDM4ENPC1RAB9AALDH1A1CYP1A2 | |
| Bromide SCHEMBL9391382 | 0.71 | LMNA (0.69) | NPC1RAB9AALDH1A1HPGDSMN1; SMN2 | |
| SCHEMBL27968872 | 0.71 | LMNA (0.69) | NPC1RAB9AALDH1A1HPGDSMN1; SMN2 |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20130243754-A1 | HETEROCYCLIC COMPOUNDS AND METHODS OF USE | TARGEGEN, INC. (US) | 2013-09-19 | — | — | US | disclosed |
| US-8372971-B2 | Heterocyclic compounds and methods of use | TARGEGEN, INC. (US) | 2013-02-12 | — | — | US | disclosed |
| EP-2532653-A1 | Benzo[1,2,4]triazines as protein kinase modulators | Targegen, Inc. (US) | 2012-12-12 | — | — | EP | disclosed |
| US-20120220584-A1 | HETEROCYCLIC COMPOUNDS AND METHODS OF USE | TARGEGEN, INC. (US) | 2012-08-30 | — | — | US | disclosed |
| US-8084618-B2 | Heterocyclic compounds and methods of use | TARGEGEN, INC. (US) | 2011-12-27 | — | — | US | disclosed |
| US-20100330069-A1 | HETEROCYCLIC COMPOUNDS AND METHODS OF USE | TARGEGEN, INC. (US) | 2010-12-30 | — | — | US | disclosed |
| US-7652051-B2 | Heterocyclic compounds and methods of use | TARGEGEN, INC. (US) | 2010-01-26 | — | — | US | disclosed |
| EP-1799656-A4 | HETEROCYCLIC COMPOUNDS AND METHODS OF USE | TARGEGEN INC (US) | 2009-09-02 | — | — | EP | disclosed |
| EP-1799656-A1 | HETEROCYCLIC COMPOUNDS AND METHODS OF USE | Targegen, Inc. (US) | 2007-06-27 | — | — | EP | disclosed |
| US-20060079526-A1 | Heterocyclic compounds and methods of use | TARGEGEN, INC. (US) | 2006-04-13 | — | — | US | disclosed |
| WO-2006024034-A1 | HETEROCYCLIC COMPOUNDS AND METHODS OF USE | TARGEGEN, INC. (US) | 2006-03-02 | — | — | 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 (4 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-20120220584-A1 | HETEROCYCLIC COMPOUNDS AND METHODS OF USE | AADAC, NISCH, PAICS | KDM4E 3566/4885NPC1 3400/4885RAB9A 4578/4885 |
| US-20130243754-A1 | HETEROCYCLIC COMPOUNDS AND METHODS OF USE | AADAC, NISCH, PAICS | KDM4E 3566/4885NPC1 3400/4885RAB9A 4578/4885 |
| US-20060079526-A1 | Heterocyclic compounds and methods of use | AADAC, NISCH, PAICS | KDM4E 3566/4885NPC1 3400/4885RAB9A 4578/4885 |
| US-20100330069-A1 | HETEROCYCLIC COMPOUNDS AND METHODS OF USE | AADAC, NISCH, PAICS | KDM4E 3566/4885NPC1 3400/4885RAB9A 4578/4885 |
“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.