Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | AR | P10275 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 3/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | DPP4 | P27487 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 4/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.38 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | PDE3B | Q13370 | 2/20 | 0.36 |
| ▸ | PDE3A | Q14432 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL28037584 | 0.84 | NOTUM (0.47) | ARPDE3BPDE3ANOTUM | |
| SCHEMBL15122274 | 0.81 | NOTUM (0.51) | ALDH1A1KDM4EMAPTGAAPOLB | |
| SCHEMBL28037158 | 0.81 | NCF1 (0.45) | ALDH1A1KDM4EMAPTCYP2C9NOTUM | |
| SCHEMBL29722987 | 0.78 | ALDH1A1 (0.65) | ALDH1A1KDM4EMAPK1MAPTAR | |
| SCHEMBL853170 | 0.78 | ALDH1A1 (0.65) | ALDH1A1KDM4EMAPK1MAPTAR | |
| SCHEMBL13175782 | 0.76 | AR (0.51) | ALDH1A1ARHTTDPP4GAA | |
| SCHEMBL1963730 | 0.75 | DPP4 (0.56) | ALDH1A1KDM4EMAPTARDPP4 | |
| SCHEMBL23648678 | 0.73 | PDE3B (0.50) | ALDH1A1MAPTCYP2C9DPP4MEN1 | |
| SCHEMBL20578110 | 0.73 | GAA (0.67) | ALDH1A1KDM4EMAPTHTTCYP2C9 | |
| SCHEMBL8261930 | 0.72 | CTPS1 (0.62) | ALDH1A1KDM4EMAPK1MAPTCYP2C9 |
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-105061326-A | Pyridazinone derivatives as well as preparation method and application thereof | SICHUAN BAILI PHARMACEUTICAL CO LTD | 2015-11-18 | — | — | CN | disclosed |