Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRP | O00591 | 2/20 | 0.41 |
| ▸ | GABRD | O14764 | 2/20 | 0.41 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.41 |
| ▸ | GABRB1 | P18505 | 2/20 | 0.41 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.41 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.41 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.41 |
| ▸ | GABRA3 | P34903 | 2/20 | 0.41 |
| ▸ | GABRA2 | P47869 | 2/20 | 0.41 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.41 |
| ▸ | GABRA4 | P48169 | 2/20 | 0.41 |
| ▸ | GABRE | P78334 | 2/20 | 0.41 |
| ▸ | GABRA6 | Q16445 | 2/20 | 0.41 |
| ▸ | GABRG1 | Q8N1C3 | 2/20 | 0.41 |
| ▸ | GABRG3 | Q99928 | 2/20 | 0.41 |
| ▸ | GABRQ | Q9UN88 | 2/20 | 0.41 |
| ▸ | CYP51A1 | Q16850 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL18986848 | 0.80 | CYP51A1 (0.33) | CYP51A1CYP2C9TP53CA12CA1 | |
| SCHEMBL18986772 | 0.77 | PDE4A (0.33) | CYP51A1CYP2C9TP53CA12CA1 | |
| SCHEMBL18986863 | 0.77 | CYP51A1 (0.36) | CYP51A1CYP2C9TP53CA12CA1 | |
| SCHEMBL13754453 | 0.73 | CA2 (0.50) | CYP51A1TP53CA1CA2CA9 | |
| SCHEMBL28097360 | 0.73 | RAD51 (0.32) | — | |
| SCHEMBL27945227 | 0.72 | AKR1B1 (0.48) | NAPRTCA2AKR1B1GAAMEN1 | |
| SCHEMBL7914812 | 0.69 | GABRP (0.44) | GABRPGABRDGABRA1GABRB1GABRG2 | |
| SCHEMBL17396955 | 0.69 | KDM4E (0.53) | GABRPGABRDGABRA1GABRB1GABRG2 | |
| SCHEMBL3548760 | 0.69 | KDM4E (0.47) | GABRPGABRDGABRA1GABRB1GABRG2 | |
| SCHEMBL28803719 | 0.69 | KDM4E (0.45) | GABRPGABRDGABRA1GABRB1GABRG2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103958475-B | Heteroaryl hydroxamic acid derivatives and their use in the treatment, alleviation or prevention of viral diseases | F. HOFFMANN-LA ROCHE AG (CH) | 2015-11-25 | — | — | CN | disclosed |
| CN-103958521-A | Pyrimidin-4-one derivatives and their use in the treatment, alleviation or prevention of viral diseases | HOFFMANN LA ROCHE | 2014-07-30 | — | — | CN | disclosed |
| CN-103958475-A | Heteroaryl hydroxamic acid derivatives and their use in the treatment, alleviation or prevention of viral diseases | HOFFMANN LA ROCHE | 2014-07-30 | — | — | CN | disclosed |