Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 3/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.42 |
| ▸ | HTR7 | P34969 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | MGLL | Q99685 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 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 | |
|---|---|---|---|---|
| SCHEMBL27321631 | 0.81 | CYP2C19 (0.52) | SMN1; SMN2ALDH1A1HPGDCYP2C19MAPT | |
| SCHEMBL27344280 | 0.78 | PIK3CB (0.46) | SMN1; SMN2CYP2C19HTTRAB9ANPC1 | |
| SCHEMBL5169618 | 0.77 | SMN1; SMN2 (0.56) | SMN1; SMN2ALDH1A1CYP1A2CYP2C9HPGD | |
| SCHEMBL27319619 | 0.74 | SMN1; SMN2 (0.63) | SMN1; SMN2ALDH1A1CYP1A2CYP2C9HPGD | |
| SCHEMBL15359978 | 0.72 | CYP2C19 (0.58) | SMN1; SMN2ALDH1A1CYP1A2CYP2C9HPGD | |
| SCHEMBL28054610 | 0.71 | CDK1 (0.39) | ALDH1A1MAPTMAPK1MEN1KMT2A | |
| SCHEMBL248354 | 0.71 | ALDH1A1 (0.62) | SMN1; SMN2ALDH1A1CYP1A2CYP2C9HPGD | |
| SCHEMBL30619358 | 0.71 | ALDH1A1 (0.62) | SMN1; SMN2ALDH1A1CYP1A2CYP2C9HPGD | |
| SCHEMBL13470426 | 0.71 | RAF1 (0.51) | SMN1; SMN2ALDH1A1MAPK1LMNAMEN1 | |
| SCHEMBL17671429 | 0.68 | CYP1A2 (0.48) | ALDH1A1CYP1A2CYP2C19POLB |
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-102958921-B | Urea compound, preparation method thereof, intermediate thereof and application thereof | SHANGHAI INSTITUTE OF PHARMACEUTICAL INDUSTRY (CN) | 2016-03-23 | — | — | CN | disclosed |