Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.50 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 4/20 | 0.48 |
| ▸ | MEN1 | O00255 | 5/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 4/20 | 0.42 |
| ▸ | HTT | P42858 | 2/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.39 |
| ▸ | CRHBP | P24387 | 1/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.39 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL57466 | 0.82 | — | — | |
| Nitrobenzene SCHEMBL718033 | 0.80 | ALDH1A1 (0.76) | ALDH1A1CYP19A1LMNAMEN1KMT2A | |
| Ammonia Solution, Strong SCHEMBL27528968 | 0.80 | CYP19A1 (0.44) | ALDH1A1CYP19A1LMNAMEN1KMT2A | |
| SCHEMBL28145443 | 0.77 | LMNA (0.50) | ALDH1A1CYP19A1LMNAMEN1KMT2A | |
| Nitrobenzene SCHEMBL10947937 | 0.76 | ALDH1A1 (0.77) | ALDH1A1CYP19A1LMNAMEN1KMT2A | |
| Nitrobenzene SCHEMBL28671223 | 0.75 | ALDH1A1 (0.67) | ALDH1A1CYP19A1LMNAMEN1KMT2A | |
| Nitrobenzene SCHEMBL28494191 | 0.74 | ALDH1A1 (0.74) | ALDH1A1CYP19A1LMNAMEN1KMT2A | |
| Aniline SCHEMBL2049236 | 0.73 | TSHR (0.61) | ALDH1A1CYP19A1LMNAMEN1KMT2A | |
| Aniline SCHEMBL28434008 | 0.72 | TSHR (0.69) | ALDH1A1CYP19A1LMNAMEN1KMT2A | |
| Aniline SCHEMBL29250122 | 0.72 | TSHR (0.69) | ALDH1A1CYP19A1LMNAMEN1KMT2A |
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-106674197-A | Aurora kinase A inhibitor and preparation and application thereof | 兰州大学 | 2017-05-17 | — | — | CN | disclosed |