Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PLD1 | Q13393 | 2/20 | 0.38 |
| ▸ | PLD2 | O14939 | 1/20 | 0.38 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.36 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.36 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.36 |
| ▸ | CHRNB3 | Q05901 | 1/20 | 0.36 |
| ▸ | CHRNA6 | Q15825 | 1/20 | 0.36 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | UGCG | Q16739 | 2/20 | 0.34 |
| ▸ | BIRC2 | Q13490 | 1/20 | 0.34 |
| ▸ | REN | P00797 | 1/20 | 0.32 |
| ▸ | ACVR1 | Q04771 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.31 |
| ▸ | SCN9A | Q15858 | 2/20 | 0.31 |
| ▸ | SCN10A | Q9Y5Y9 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| Tert-Butyl Formate SCHEMBL28058837 | 1.00 | PLD1 (0.38) | PLD1PLD2CHRNB2CHRNA3CHRNA4 | |
| Tert-Butyl Formate SCHEMBL28876717 | 1.00 | PLD1 (0.38) | PLD1PLD2CHRNB2CHRNA3CHRNA4 | |
| Tert-Butyl Formate SCHEMBL27798924 | 0.85 | TDP1 (0.38) | PLD1PLD2CHRNB2CHRNA3CHRNA4 | |
| Tert-Butyl Formate SCHEMBL27838561 | 0.84 | TDP1 (0.41) | CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6 | |
| SCHEMBL26814687 | 0.84 | CHRNB2 (0.48) | PLD1PLD2CHRNB2CHRNA3CHRNA4 | |
| SCHEMBL14165240 | 0.84 | CHRNB2 (0.48) | PLD1PLD2CHRNB2CHRNA3CHRNA4 | |
| SCHEMBL14164982 | 0.84 | CHRNB2 (0.48) | PLD1PLD2CHRNB2CHRNA3CHRNA4 | |
| Tert-Butyl Formate SCHEMBL28060431 | 0.82 | CHRNB2 (0.36) | CHRNB2CHRNA3CHRNA4HRH4TDP1 | |
| SCHEMBL14865199 | 0.75 | PLD1 (0.40) | PLD1PLD2CHRNB2CHRNA3CHRNA4 | |
| Tert-Butyl Formate SCHEMBL27947062 | 0.73 | BIRC2 (0.49) | BIRC2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-105461697-A | Quinazolinone PARP-1 inhibitors, medicinal composition containing inhibitors, and antitumor use of inhibitors | INST MATERIA MEDICA CAMS | 2016-04-06 | — | — | CN | disclosed |