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 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOTUM | Q6P988 | 2/20 | 0.36 |
| ▸ | F11 | P03951 | 13/20 | 0.35 |
| ▸ | KLKB1 | P03952 | 11/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.33 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | KCNMA1 | Q12791 | 1/20 | 0.33 |
| ▸ | JAK2 | O60674 | 1/20 | 0.32 |
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 SCHEMBL29491785 | 1.00 | NOTUM (0.36) | NOTUMF11KLKB1KCNH2P2RX7 | |
| SCHEMBL16971694 | 0.99 | NOTUM (0.37) | NOTUMF11KLKB1KCNH2P2RX7 | |
| SCHEMBL16974699 | 0.86 | F11 (0.36) | NOTUMF11KLKB1KCNH2P2RX7 | |
| SCHEMBL16971811 | 0.84 | NOTUM (0.41) | NOTUMF11KLKB1KCNH2KCNMA1 | |
| SCHEMBL16971368 | 0.83 | F11 (0.43) | NOTUMF11KLKB1KCNH2CYP3A4 | |
| SCHEMBL29479271 | 0.83 | F11 (0.43) | NOTUMF11KLKB1KCNH2CYP3A4 | |
| SCHEMBL16971865 | 0.82 | NOTUM (0.39) | NOTUMF11KLKB1KCNH2KCNMA1 | |
| SCHEMBL30633079 | 0.82 | GABRA2 (0.42) | KCNMA1 | |
| SCHEMBL17644865 | 0.82 | GABRA2 (0.42) | KCNMA1 | |
| Bromide SCHEMBL16971377 | 0.81 | NOTUM (0.40) | NOTUMF11KLKB1KCNH2CYP3A4 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110845498-B | Macrocyclic compounds having heterocyclic P2' groups as factor XIA inhibitors | 百时美施贵宝公司 | 2023-02-17 | — | — | CN | disclosed |
| EP-3099686-B1 | MACROCYCLES WITH AROMATIC P2' GROUPS AS FACTOR XIA INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2020-03-11 | — | — | EP | disclosed |
| CN-110845498-A | Macrocyclic compounds having a heterocyclic P2' group as factor XIA inhibitors | 百时美施贵宝公司 | 2020-02-28 | — | — | CN | disclosed |
| US-9777001-B2 | Macrocycles with aromatic P2′ groups as factor xia inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2017-10-03 | — | — | US | disclosed |
| US-20170096429-A1 | MACROCYCLES WITH AROMATIC P2' GROUPS AS FACTOR XIA INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2017-04-06 | — | — | US | disclosed |
| EP-3099686-A1 | MACROCYCLES WITH AROMATIC P2' GROUPS AS FACTOR XIA INHIBITORS | Bristol-Myers Squibb Company (US) | 2016-12-07 | — | — | EP | disclosed |
| WO-2015116885-A1 | MACROCYCLES WITH AROMATIC P2' GROUPS AS FACTOR XIA INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2015-08-06 | — | — | 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-20170096429-A1 | MACROCYCLES WITH AROMATIC P2' GROUPS AS FACTOR XIA INHIBITORS | TFPI, TFPI2, F2 | NOTUM 4031/4885F11 6/4885KLKB1 19/4885 |
“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.