Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.65 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.62 |
| ▸ | MEN1 | O00255 | 4/20 | 0.62 |
| ▸ | ATM | Q13315 | 1/20 | 0.62 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.59 |
| ▸ | LMNA | P02545 | 2/20 | 0.59 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.59 |
| ▸ | HPGD | P15428 | 1/20 | 0.59 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.59 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.57 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.57 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.57 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.57 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.56 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.55 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.55 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL13485778 | 1.00 | TDP1 (0.65) | TDP1KMT2AMEN1ATMSMN1; SMN2 | |
| SCHEMBL38664746 | 0.84 | TDP1 (0.62) | TDP1KMT2AMEN1ATMSMN1; SMN2 | |
| SCHEMBL6530771 | 0.84 | TDP1 (0.62) | TDP1KMT2AMEN1ATMSMN1; SMN2 | |
| SCHEMBL7199438 | 0.84 | ATM (0.65) | TDP1KMT2AMEN1ATMSMN1; SMN2 | |
| SCHEMBL11419959 | 0.84 | TDP1 (0.62) | TDP1KMT2AMEN1ATMSMN1; SMN2 | |
| SCHEMBL1411297 | 0.84 | TDP1 (0.62) | TDP1KMT2AMEN1ATMSMN1; SMN2 | |
| SCHEMBL1947868 | 0.81 | ALDH1A1 (0.68) | TDP1KMT2AMEN1SMN1; SMN2LMNA | |
| SCHEMBL10079871 | 0.81 | ALDH1A1 (0.72) | TDP1KMT2AMEN1SMN1; SMN2LMNA | |
| SCHEMBL14520097 | 0.81 | MEN1 (0.66) | TDP1KMT2AMEN1ATMSMN1; SMN2 | |
| SCHEMBL6007605 | 0.81 | TDP1 (0.59) | TDP1KMT2AMEN1ATMSMN1; SMN2 |
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-107522635-B | N-cyclopropyl nitrone derivatives and preparation method thereof | 东北师范大学 | 2020-02-14 | — | — | CN | disclosed |