Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDC7 | O00311 | 2/20 | 0.47 |
| ▸ | CDK2 | P24941 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.40 |
| ▸ | ATR | Q13535 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | S100A4 | P26447 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 3/20 | 0.36 |
| ▸ | RAB9A | P51151 | 3/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | DHODH | Q02127 | 1/20 | 0.36 |
| ▸ | MAOA | P21397 | 1/20 | 0.36 |
| ▸ | MAOB | P27338 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL15778985 | 0.86 | CDC7 (0.47) | CDC7CDK2GAALIMK1ATR | |
| SCHEMBL16039899 | 0.79 | MKNK1 (0.41) | GAAATRCYP1A2CYP3A4CYP2C9 | |
| SCHEMBL17967568 | 0.77 | CDC7 (0.48) | CDC7CDK2KDM4EALDH1A1S100A4 | |
| SCHEMBL17967663 | 0.75 | GAA (0.47) | CDC7CDK2GAALIMK1CYP1A2 | |
| SCHEMBL30824221 | 0.75 | GAA (0.52) | GAALIMK1MAOAIMPDH2CYP2D6 | |
| SCHEMBL7089870 | 0.75 | ALDH1A1 (0.42) | CDC7CDK2GAACYP3A4KDM4E | |
| SCHEMBL20600350 | 0.75 | GAA (0.52) | GAALIMK1MAOAIMPDH2CYP2D6 | |
| SCHEMBL28173312 | 0.75 | MAP4K4 (0.48) | CDC7CDK2S100A4NPC1RAB9A | |
| SCHEMBL28173942 | 0.72 | HTT (0.41) | CYP1A2CYP3A4CYP2C19ALDH1A1HPGD | |
| SCHEMBL7282635 | 0.72 | CYP2A6 (0.55) | CDK2CYP1A2CYP3A4CYP2C9CYP2C19 |
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-107207508-A | 9H-pyrrolo-bipyridine derivatives | UCB生物制药私人有限公司 | 2017-09-26 | — | — | CN | disclosed |