Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.43 |
| ▸ | CASP3 | P42574 | 1/20 | 0.43 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.43 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.43 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | POLB | P06746 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | EGFR | P00533 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL28357003 | 0.83 | CASP3 (0.52) | TDP1KMT2ACASP3SENP8SENP7 | |
| SCHEMBL28357185 | 0.83 | CASP3 (0.57) | TDP1KMT2ACASP3SENP8SENP7 | |
| SCHEMBL28357034 | 0.82 | L3MBTL1 (0.51) | TDP1KMT2ACASP3SENP8SENP7 | |
| SCHEMBL28357080 | 0.82 | CASP3 (0.50) | TDP1KMT2ACASP3SENP8SENP7 | |
| SCHEMBL28357028 | 0.81 | HPGD (0.56) | TDP1KMT2ACASP3SENP8SENP7 | |
| SCHEMBL28357104 | 0.80 | SMN1; SMN2 (0.45) | KMT2ACASP3SENP8SENP7SENP6 | |
| SCHEMBL28360909 | 0.80 | POLB (0.49) | TDP1KMT2ACASP3SENP8SENP7 | |
| SCHEMBL28357040 | 0.80 | L3MBTL1 (0.46) | TDP1KMT2ACASP3SENP8SENP7 | |
| SCHEMBL28347710 | 0.80 | TDP1 (0.52) | TDP1KMT2AKDM4EPOLBLMNA | |
| SCHEMBL28347350 | 0.78 | TDP1 (0.65) | TDP1KMT2ACASP3SENP8SENP7 |
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-110642782-B | (S) -2- (2-chloronicotinylamino) propyl propionate derivative and preparation method and application thereof | 浙江工业大学 | 2021-04-27 | — | — | CN | disclosed |
| CN-110642782-A | (S) -2- (2-chloronicotinylamino) propyl propionate derivative and preparation method and application thereof | 浙江工业大学 | 2020-01-03 | — | — | CN | disclosed |