Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | MAP3K14 | Q99558 | 1/20 | 0.42 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.42 |
| ▸ | ATM | Q13315 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.39 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.38 |
| ▸ | BRD4 | O60885 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 4/20 | 0.37 |
| ▸ | NPC1 | O15118 | 3/20 | 0.37 |
| ▸ | CASP3 | P42574 | 1/20 | 0.37 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.37 |
| ▸ | PTGER3 | P43115 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL28831826 | 0.92 | AR (0.41) | ALDH1A1KDM4ELMNAMAP3K14ADRA1D | |
| SCHEMBL28080836 | 0.85 | F2RL3 (0.39) | ALDH1A1LMNAADRA1DBRD4 | |
| SCHEMBL28080903 | 0.84 | ALDH1A1 (0.43) | ALDH1A1KDM4ELMNAADRA1DMEN1 | |
| SCHEMBL28080828 | 0.82 | CCR2 (0.46) | MEN1KMT2ACYP3A4CYP2D6CYP2C19 | |
| SCHEMBL28080894 | 0.80 | ALDH1A1 (0.47) | ALDH1A1KDM4ELMNAADRA1DATM | |
| SCHEMBL28080843 | 0.77 | CYP11B1 (0.44) | ALDH1A1KDM4ELMNAMAPTNPSR1 | |
| SCHEMBL28080966 | 0.77 | GFER (0.46) | ALDH1A1LMNAMEN1KMT2ASMN1; SMN2 | |
| SCHEMBL28080900 | 0.76 | LMNA (0.39) | ALDH1A1KDM4ELMNAMEN1KMT2A | |
| SCHEMBL28831833 | 0.75 | GPR52 (0.40) | ALDH1A1KDM4EADRA1DSMN1; SMN2RAB9A | |
| Benzene SCHEMBL28080834 | 0.74 | CNR2 (0.43) | ALDH1A1KDM4E |
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-103804108-B | A kind of method preparing primary amine | 沈阳药科大学 | 2016-08-03 | — | — | CN | disclosed |