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 | 5/20 | 0.68 |
| ▸ | POLB | P06746 | 2/20 | 0.68 |
| ▸ | RAB9A | P51151 | 4/20 | 0.67 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.67 |
| ▸ | MAPT | P10636 | 3/20 | 0.67 |
| ▸ | GAA | P10253 | 1/20 | 0.62 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.60 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.60 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.60 |
| ▸ | HPGD | P15428 | 1/20 | 0.60 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.58 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.55 |
| ▸ | TSHR | P16473 | 1/20 | 0.54 |
| ▸ | NPC1 | O15118 | 3/20 | 0.52 |
| ▸ | GABRA2 | P47869 | 2/20 | 0.52 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.52 |
| ▸ | MEN1 | O00255 | 1/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL101682 | 0.98 | KDM4E (0.70) | KDM4EPOLBRAB9ASMN1; SMN2MAPT | |
| SCHEMBL16595811 | 0.86 | PTGS1 (0.57) | KDM4EPOLBRAB9ASMN1; SMN2MAPT | |
| SCHEMBL1583201 | 0.83 | PTGS1 (0.66) | KDM4EPOLBRAB9ASMN1; SMN2MAPT | |
| SCHEMBL31000249 | 0.82 | RAB9A (0.53) | KDM4EPOLBRAB9ASMN1; SMN2MAPT | |
| SCHEMBL1445451 | 0.81 | KDM4E (1.00) | KDM4EPOLBRAB9ASMN1; SMN2MAPT | |
| SCHEMBL8609187 | 0.81 | RAB9A (0.53) | KDM4EPOLBRAB9ASMN1; SMN2MAPT | |
| SCHEMBL1311917 | 0.80 | KDM4E (0.52) | KDM4EPOLBRAB9ASMN1; SMN2MAPT | |
| SCHEMBL3035991 | 0.80 | PTGS1 (0.66) | KDM4EPOLBRAB9ASMN1; SMN2MAPT | |
| SCHEMBL871014 | 0.80 | KDM4E (0.69) | KDM4EPOLBRAB9ASMN1; SMN2MAPT | |
| SCHEMBL17437886 | 0.80 | KDM4E (0.78) | KDM4EPOLBRAB9ASMN1; SMN2MAPT |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20090035313-A1 | Compounds | PFIZER INC. | 2009-02-05 | — | — | US | disclosed |
| EP-1651641-B1 | NICOTINAMIDE DERIVATIVES USEFUL AS PDE4 INHIBITORS | PFIZER LTD (GB) | 2007-05-23 | — | — | EP | disclosed |
| EP-1651640-B1 | NICOTINAMIDE DERIVATIVES USEFUL AS PDE4 INHIBITORS | PFIZER LTD (GB) | 2007-02-14 | — | — | EP | disclosed |
| US-7153870-B2 | Nicotinamide derivatives useful as PDE4 inhibitors | PFIZER INC. (US) | 2006-12-26 | — | — | US | disclosed |
| US-20060178408-A1 | Nicotinamide derivatives useful as pde4 inhibitors | BARBER CHRISTOPHER G | 2006-08-10 | — | — | US | disclosed |
| US-20050043326-A1 | Compounds | PFIZER INC | 2005-02-24 | — | — | US | disclosed |
| US-20050020611-A1 | Compounds | PFIZER INC. | 2005-01-27 | — | — | US | disclosed |
| US-20050020626-A1 | Nicotinamide derivatives useful as PDE4 inhibitors | PFIZER INC | 2005-01-27 | — | — | US | disclosed |
| US-4794120-A | BACTERICIDES, FUNGICIDES | SYNTHELABO (FR) | 1988-12-27 | — | — | 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 (5 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-20050020611-A1 | Compounds | NQO1, NAMPT, NNT | KDM4E 3109/4885POLB 1310/4885RAB9A 1644/4885 |
| US-20050020626-A1 | Nicotinamide derivatives useful as PDE4 inhibitors | PDE4A, PDE4B, PDE4C | KDM4E 1254/4885POLB 1021/4885RAB9A 1528/4885 |
| US-20060178408-A1 | Nicotinamide derivatives useful as pde4 inhibitors | PDE4A, PDE4B, PDE4C | KDM4E 1010/4885POLB 1018/4885RAB9A 1303/4885 |
| US-20090035313-A1 | Compounds | NQO1, NAMPT, NNT | KDM4E 3109/4885POLB 1310/4885RAB9A 1644/4885 |
| US-20050043326-A1 | Compounds | NQO1, NAMPT, NNT | KDM4E 3109/4885POLB 1310/4885RAB9A 1644/4885 |
“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.