Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PCNA | P12004 | 1/20 | 0.46 |
| ▸ | LIG1 | P18858 | 1/20 | 0.46 |
| ▸ | THRA | P10827 | 2/20 | 0.37 |
| ▸ | THRB | P10828 | 2/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | MMP1 | P03956 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | TUBB4A | P04350 | 3/20 | 0.35 |
| ▸ | TUBB | P07437 | 3/20 | 0.35 |
| ▸ | TUBA3C | P0DPH7 | 3/20 | 0.35 |
| ▸ | TUBA1B | P68363 | 3/20 | 0.35 |
| ▸ | TUBA4A | P68366 | 3/20 | 0.35 |
| ▸ | TUBB4B | P68371 | 3/20 | 0.35 |
| ▸ | TUBB3 | Q13509 | 3/20 | 0.35 |
| ▸ | TUBB2A | Q13885 | 3/20 | 0.35 |
| ▸ | TUBB8 | Q3ZCM7 | 3/20 | 0.35 |
| ▸ | TUBA3E | Q6PEY2 | 3/20 | 0.35 |
| ▸ | TUBA1A | Q71U36 | 3/20 | 0.35 |
| ▸ | TUBA1C | Q9BQE3 | 3/20 | 0.35 |
| ▸ | TUBB6 | Q9BUF5 | 3/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL22563604 | 1.00 | PCNA (0.46) | PCNALIG1THRATHRBTDP1 | |
| SCHEMBL1702318 | 1.00 | PCNA (0.46) | PCNALIG1THRATHRBTDP1 | |
| SCHEMBL28035207 | 0.84 | CYP3A4 (0.41) | PCNALIG1MMP1CYP3A4 | |
| SCHEMBL28035206 | 0.84 | CYP3A4 (0.41) | PCNALIG1MMP1CYP3A4 | |
| SCHEMBL14493792 | 0.83 | ALOX15 (0.38) | THRATHRBTDP1MMP1CYP3A4 | |
| SCHEMBL1755280 | 0.80 | PCNA (0.43) | PCNALIG1THRATHRBSCN4A | |
| SCHEMBL28035205 | 0.80 | PCNA (0.43) | PCNALIG1THRATHRBSCN4A | |
| SCHEMBL14541663 | 0.80 | PCNA (0.43) | PCNALIG1THRATHRBSCN4A | |
| SCHEMBL1323344 | 0.79 | THRA (0.38) | THRATHRBTDP1TUBB4ATUBB | |
| SCHEMBL3291891 | 0.79 | THRB (0.58) | PCNATHRATHRBTDP1CYP3A4 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111499525-B | Synthetic method of antineoplastic drug trepetidine intermediate | 安徽实特医药科技有限公司 | 2022-12-09 | — | — | CN | claimed |
| CN-111499525-B | Synthetic method of antineoplastic drug trepetidine intermediate | 安徽实特医药科技有限公司 | 2022-12-09 | — | — | CN | disclosed |