Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.61 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.61 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.61 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.61 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.61 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.61 |
| ▸ | MMP9 | P14780 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 4/20 | 0.45 |
| ▸ | RECQL | P46063 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Tetrabarbital SCHEMBL1643537 | 0.85 | CYP3A4 (0.65) | CYP3A4KDM4EALDH1A1GABRB3OPRD1 | |
| Tetrabarbital SCHEMBL1643533 | 0.85 | CYP3A4 (0.65) | CYP3A4KDM4EALDH1A1GABRB3OPRD1 | |
| Pentobarbital SCHEMBL735353 | 0.76 | CYP3A4 (1.00) | CYP3A4KDM4EALDH1A1GABRB3OPRD1 | |
| Pentobarbital SCHEMBL24966 | 0.76 | CYP3A4 (1.00) | CYP3A4KDM4EALDH1A1GABRB3OPRD1 | |
| Pentobarbital SCHEMBL2376470 | 0.76 | CYP3A4 (1.00) | CYP3A4KDM4EALDH1A1GABRB3OPRD1 | |
| Pentobarbital SCHEMBL26056 | 0.74 | CYP3A4 (0.96) | CYP3A4KDM4EALDH1A1GABRB3OPRD1 | |
| Pentobarbital SCHEMBL26057 | 0.74 | CYP3A4 (0.96) | CYP3A4KDM4EALDH1A1GABRB3OPRD1 | |
| Pentobarbital SCHEMBL3695587 | 0.74 | CYP3A4 (0.96) | CYP3A4KDM4EALDH1A1GABRB3OPRD1 | |
| Pentobarbital SCHEMBL3245534 | 0.74 | CYP3A4 (0.96) | CYP3A4KDM4EALDH1A1GABRB3OPRD1 | |
| Pentobarbital SCHEMBL1256614 | 0.74 | CYP3A4 (0.96) | CYP3A4KDM4EALDH1A1GABRB3OPRD1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2006036928-A2 | INHIBITORS OF MATRIX METALLOPROTEINASES TO TREAT NEUROLOGICAL DISORDERS | WAYNE STATE UNIVERSITY (US) | 2006-04-06 | — | — | WO | disclosed |