Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.58 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.58 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.58 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.58 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.58 |
| ▸ | TP53 | P04637 | 1/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.55 |
| ▸ | MEN1 | O00255 | 3/20 | 0.55 |
| ▸ | LMNA | P02545 | 4/20 | 0.55 |
| ▸ | MAPT | P10636 | 2/20 | 0.55 |
| ▸ | HPGD | P15428 | 2/20 | 0.53 |
| ▸ | HTT | P42858 | 3/20 | 0.52 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.52 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.49 |
| ▸ | CDC25A | P30304 | 1/20 | 0.49 |
| ▸ | CDC25B | P30305 | 1/20 | 0.49 |
| ▸ | RECQL | P46063 | 1/20 | 0.48 |
| ▸ | POLB | P06746 | 2/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL5333044 | 1.00 | ALDH1A1 (0.58) | ALDH1A1CYP3A4CYP1A2CYP2C19CYP2D6 | |
| SCHEMBL5330392 | 0.88 | TP53 (0.67) | ALDH1A1CYP3A4CYP1A2CYP2C19CYP2D6 | |
| SCHEMBL5330386 | 0.88 | TP53 (0.67) | ALDH1A1CYP3A4CYP1A2CYP2C19CYP2D6 | |
| SCHEMBL14542106 | 0.87 | TP53 (0.69) | ALDH1A1CYP3A4CYP1A2CYP2C19CYP2D6 | |
| SCHEMBL5332046 | 0.84 | POLB (0.58) | ALDH1A1CYP3A4CYP1A2CYP2C19CYP2D6 | |
| SCHEMBL5332052 | 0.84 | POLB (0.58) | ALDH1A1CYP3A4CYP1A2CYP2C19CYP2D6 | |
| SCHEMBL14542024 | 0.78 | TP53 (0.78) | ALDH1A1TP53KMT2AKDM4EMEN1 | |
| SCHEMBL5328274 | 0.77 | TP53 (0.75) | ALDH1A1CYP3A4CYP2C19CYP2D6TP53 | |
| SCHEMBL5328282 | 0.77 | TP53 (0.75) | ALDH1A1CYP3A4CYP2C19CYP2D6TP53 | |
| SCHEMBL14542267 | 0.75 | TP53 (0.79) | ALDH1A1TP53KMT2AMEN1LMNA |
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 |
|---|---|---|---|---|---|---|---|
| WO-2007047394-A2 | THIOTRIAZOLYL DERIVATIVES | EPIX DELAWARE, INC. (US) | 2007-04-26 | — | — | WO | claimed |
| WO-2007047394-A2 | THIOTRIAZOLYL DERIVATIVES | EPIX DELAWARE, INC. (US) | 2007-04-26 | — | — | WO | disclosed |