Known targets — ChEMBL curated mechanism
GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQ
The experimentally established mechanism targets of Bucolome. 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 | |
|---|---|---|---|---|
| ▸ | GABRB3 known ✓ | P28472 | 1/20 | 0.40 |
| ▸ | GABRA2 known ✓ | P47869 | 1/20 | 0.40 |
| ▸ | GABRB2 known ✓ | P47870 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.38 |
| ▸ | LMNA | P02545 | 3/20 | 0.36 |
| ▸ | GAA | P10253 | 2/20 | 0.36 |
| ▸ | MMP1 | P03956 | 1/20 | 0.35 |
| ▸ | MMP3 | P08254 | 1/20 | 0.35 |
| ▸ | MMP9 | P14780 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| Bucolome SCHEMBL25956 | 0.83 | ALDH1A1 (0.57) | ALDH1A1CYP3A4KDM4ECYP2C9CYP2C19 | |
| SCHEMBL1426501 | 0.79 | ALDH1A1 (0.51) | ALDH1A1CYP3A4KDM4ECYP2C9CYP2C19 | |
| SCHEMBL1426458 | 0.79 | ALDH1A1 (0.51) | ALDH1A1CYP3A4KDM4ECYP2C9CYP2C19 | |
| SCHEMBL17472455 | 0.76 | ALDH1A1 (0.49) | ALDH1A1CYP3A4CYP2C9CYP2C19LMNA | |
| SCHEMBL21834901 | 0.76 | ALDH1A1 (0.48) | ALDH1A1CYP3A4KDM4ECYP2C9CYP2C19 | |
| Bucolome SCHEMBL28185473 | 0.74 | ALDH1A1 (0.45) | ALDH1A1CYP3A4KDM4ECYP2C9CYP2C19 | |
| SCHEMBL5271154 | 0.71 | ALDH1A1 (0.61) | ALDH1A1CYP3A4KDM4ECYP2C9CYP2C19 | |
| SCHEMBL94928 | 0.70 | ALDH1A1 (0.53) | ALDH1A1CYP3A4CYP2C9CYP2C19LMNA | |
| SCHEMBL1426482 | 0.69 | ALDH1A1 (0.51) | ALDH1A1CYP3A4CYP2C9CYP2C19LMNA | |
| Propane SCHEMBL9334285 | 0.69 | ALDH1A1 (0.51) | ALDH1A1CYP3A4CYP2C9CYP2C19LMNA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2593104-A2 | METHODS OF TREATING AND PREVENTING/REDUCING THE LIKELIHOOD OF MESIAL TEMPORAL LOBE EPILEPSY (TLE) | Müller, Prof. Dr., Wolfgang (DE) | 2013-05-22 | — | — | EP | disclosed |
| WO-2011011692-A2 | METHODS OF TREATING AND PREVENTING/REDUCING THE LIKELIHOOD OF MESIAL TEMPORAL LOBE EPILEPSY (TLE) | STC.UNM (US) | 2011-01-27 | — | — | WO | disclosed |