Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.48 |
| ▸ | ATM | Q13315 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 12/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.42 |
| ▸ | ADH5 | P11766 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 9/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 6/20 | 0.40 |
| ▸ | TP53 | P04637 | 4/20 | 0.40 |
| ▸ | MEN1 | O00255 | 3/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL27861111 | 0.89 | ALDH1A1 (0.49) | ALDH1A1ATMMAPTCYP2C19ADH5 | |
| SCHEMBL242782 | 0.87 | MAPT (0.61) | ALDH1A1ATMMAPTCYP2C19ADH5 | |
| SCHEMBL27861033 | 0.85 | ALDH1A1 (0.47) | ALDH1A1ATMMAPTCYP2C19ADH5 | |
| SCHEMBL27861022 | 0.84 | POLB (0.57) | ALDH1A1MAPTCYP2C19ADH5POLB | |
| SCHEMBL27843480 | 0.83 | ALDH1A1 (0.45) | ALDH1A1ATMMAPTCYP2C19ADH5 | |
| SCHEMBL27843682 | 0.83 | ALDH1A1 (0.46) | ALDH1A1ATMMAPTCYP2C19ADH5 | |
| SCHEMBL28793672 | 0.82 | CYP2C19 (0.60) | ALDH1A1ATMMAPTCYP2C19ADH5 | |
| SCHEMBL28796107 | 0.82 | MAPT (0.44) | ALDH1A1ATMMAPTCYP2C19ADH5 | |
| SCHEMBL27861024 | 0.82 | MAPT (0.46) | ALDH1A1ATMMAPTCYP2C19ADH5 | |
| SCHEMBL27843482 | 0.82 | ALDH1A1 (0.47) | ALDH1A1ATMMAPTCYP2C19ADH5 |
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-102186478-B | Pyrrole inhibitors of s-nitrosoglutathione reductase as therapeutic agents | N30 PHARMACEUTICALS LLC | 2013-10-02 | — | — | CN | claimed |
| CN-102186478-A | Novel pyrrole inhibitors of s-nitrosoglutathione reductase as therapeutic agents | N30 PHARMACEUTICALS LLC | 2011-09-14 | — | — | CN | claimed |