Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX2 | P34913 | 1/20 | 0.42 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.41 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.41 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.41 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 3/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | CASP6 | P55212 | 1/20 | 0.41 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | EGFR | P00533 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
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 SCHEMBL28129459 | 0.88 | EPHX2 (0.47) | EPHX2PDK1PDK2PDK3PDK4 | |
| Tert-Butyl Formate SCHEMBL27645435 | 0.74 | CHRNB2 (0.47) | TDP1 | |
| Tert-Butyl Formate SCHEMBL28017487 | 0.72 | MEN1 (0.39) | NPC1TDP1RAB9AMEN1KMT2A | |
| SCHEMBL28669892 | 0.72 | NPC1 (0.63) | EPHX2NPC1POLBCASP6CTDSP1 | |
| SCHEMBL1816200 | 0.72 | POLB (0.58) | POLBMEN1KMT2ASMN1; SMN2KDM4E | |
| SCHEMBL15649415 | 0.72 | PARP1 (0.49) | EPHX2NPC1POLBTP53RAB9A | |
| SCHEMBL17187657 | 0.71 | EPHX2 (0.49) | EPHX2PDK1PDK2PDK3PDK4 | |
| SCHEMBL3181308 | 0.71 | PTPN2 (0.62) | EPHX2NPC1TP53RAB9AKMT2A | |
| Tert-Butyl Formate SCHEMBL27770245 | 0.70 | RAB9A (0.38) | NPC1POLBTDP1RAB9AMEN1 | |
| SCHEMBL28112598 | 0.69 | EPHX2 (0.45) | EPHX2PDK1PDK2PDK3PDK4 |
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-106164077-A | Spiral shell carbamide compound as RSV antiviral compound | 爱尔兰詹森科学公司 | 2016-11-23 | — | — | CN | disclosed |