Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | DTYMK | P23919 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | ERN1 | O75460 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | CDK2 | P24941 | 1/20 | 0.35 |
| ▸ | CASP6 | P55212 | 1/20 | 0.35 |
| ▸ | SRD5A2 | P31213 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL15566605 | 0.83 | GPR35 (0.51) | ALDH1A1TDP1CYP3A4ALOX15GPR35 | |
| SCHEMBL16514788 | 0.81 | TSHR (0.45) | ALDH1A1TDP1CYP3A4ALOX15GPR35 | |
| SCHEMBL28318439 | 0.81 | TDP1 (0.41) | ALDH1A1TDP1CYP3A4ALOX15GPR35 | |
| SCHEMBL9013992 | 0.81 | TSHR (0.49) | ALDH1A1TDP1CYP3A4ALOX15GPR35 | |
| SCHEMBL30252887 | 0.81 | TDP1 (0.54) | ALDH1A1TDP1CYP3A4ALOX15CYP1A2 | |
| SCHEMBL25294147 | 0.80 | ALDH1A1 (0.40) | ALDH1A1TDP1CYP3A4ALOX15GPR35 | |
| SCHEMBL8068839 | 0.80 | TSHR (0.51) | ALDH1A1TDP1CYP3A4ALOX15GPR35 | |
| SCHEMBL28178997 | 0.80 | ALDH1A1 (0.40) | ALDH1A1TDP1CYP3A4ALOX15GPR35 | |
| SCHEMBL8105238 | 0.79 | PKM (0.45) | ALDH1A1TDP1CYP3A4ALOX15GPR35 | |
| SCHEMBL1161724 | 0.77 | TSHR (0.51) | ALDH1A1TDP1CYP3A4ALOX15GPR35 |
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-102574814-B | The preparation method of pyrimidyl acetonitrile derivative and synthetic intermediate thereof | IHARA CHEMICAL INDUSTRY CO.,LTD. (JP) | 2015-09-16 | — | — | CN | disclosed |