Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.53 |
| ▸ | NPC1 | O15118 | 3/20 | 0.53 |
| ▸ | RAB9A | P51151 | 3/20 | 0.53 |
| ▸ | MEN1 | O00255 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.51 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | HTR2C | P28335 | 2/20 | 0.46 |
| ▸ | MMP1 | P03956 | 1/20 | 0.46 |
| ▸ | MMP3 | P08254 | 1/20 | 0.46 |
| ▸ | MMP7 | P09237 | 1/20 | 0.46 |
| ▸ | MMP9 | P14780 | 1/20 | 0.46 |
| ▸ | MMP13 | P45452 | 1/20 | 0.46 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.46 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.46 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.46 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL3868582 | 0.89 | PDK1 (0.53) | SMN1; SMN2NPC1RAB9AMEN1KMT2A | |
| SCHEMBL3863607 | 0.89 | PDK1 (0.53) | SMN1; SMN2NPC1RAB9AMEN1KMT2A | |
| SCHEMBL28166614 | 0.83 | SMN1; SMN2 (0.50) | SMN1; SMN2NPC1RAB9AMEN1KMT2A | |
| SCHEMBL28166801 | 0.81 | SMN1; SMN2 (0.50) | SMN1; SMN2NPC1RAB9AMEN1KMT2A | |
| SCHEMBL28166631 | 0.80 | SMN1; SMN2 (0.48) | SMN1; SMN2NPC1RAB9AMEN1KMT2A | |
| SCHEMBL1911481 | 0.80 | MEN1 (0.61) | SMN1; SMN2NPC1RAB9AMEN1KMT2A | |
| SCHEMBL28166666 | 0.79 | SMN1; SMN2 (0.56) | SMN1; SMN2NPC1RAB9AMEN1KMT2A | |
| SCHEMBL4814264 | 0.79 | MEN1 (0.76) | SMN1; SMN2NPC1RAB9AMEN1KMT2A | |
| SCHEMBL3970912 | 0.79 | MEN1 (0.76) | SMN1; SMN2NPC1RAB9AMEN1KMT2A | |
| SCHEMBL7393652 | 0.79 | MEN1 (0.76) | SMN1; SMN2NPC1RAB9AMEN1KMT2A |
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-107098886-A | Quinazolinones PARP-1/2 inhibitor containing piperazinones and preparation method thereof, pharmaceutical composition and purposes | 中国医学科学院药物研究所 | 2017-08-29 | — | — | CN | disclosed |