Known targets — ChEMBL curated mechanism
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
The experimentally established mechanism targets of Carbromal. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 3/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 8/20 | 0.38 |
| ▸ | NPC1 | O15118 | 5/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | RAB9A | P51151 | 4/20 | 0.38 |
| ▸ | LMNA | P02545 | 3/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.38 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.36 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.36 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 3/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| Carbromal SCHEMBL9724404 | 0.80 | ALDH1A1 (0.49) | GAAMAPTNPC1ALDH1A1SMN1; SMN2 | |
| Carbromal SCHEMBL9724461 | 0.79 | ALDH1A1 (0.47) | GAAMAPTNPC1ALDH1A1SMN1; SMN2 | |
| Phosphoric Acid SCHEMBL8529442 | 0.78 | ADRA2A (0.50) | CYP2C19CYP1A2GAAMAPTALDH1A1 | |
| Carbromal SCHEMBL620919 | 0.75 | CRBN (0.33) | — | |
| Carbromal SCHEMBL1537493 | 0.74 | CRBN (0.32) | — | |
| Phosphoric Acid SCHEMBL9079479 | 0.73 | ADRA2A (0.47) | CYP2C19CYP1A2GAAMAPTNPC1 | |
| Acetone SCHEMBL28243789 | 0.72 | CYP1A2 (0.57) | CYP2C19CYP1A2GAAMAPTNPC1 | |
| Carbromal SCHEMBL1499641 | 0.72 | SLC34A1 (0.32) | — | |
| Carbromal SCHEMBL995158 | 0.71 | MMP1 (0.32) | — | |
| Carbromal SCHEMBL11332793 | 0.71 | CRBN (0.30) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5397508-A | 2-amino-5-nitropyridinium salts usable in non-linear optics and in electroptics and a process for preparing the same | FRANCE TELECOM ETABLISSEMENT AUTONOME DE DROIT PUBLIC (CENTRE NATIONAL D'ETUDES DES TELECOMMUNICATIONS) (FR) | 1995-03-14 | — | — | US | disclosed |