Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 3/20 | 0.51 |
| ▸ | MAOB | P27338 | 3/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.51 |
| ▸ | NPC1 | O15118 | 3/20 | 0.50 |
| ▸ | RAB9A | P51151 | 3/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.50 |
| ▸ | MAPT | P10636 | 2/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.50 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.50 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.50 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.50 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.50 |
| ▸ | PIP4K2C | Q8TBX8 | 1/20 | 0.50 |
| ▸ | FGFR1 | P11362 | 3/20 | 0.49 |
| ▸ | IGF1R | P08069 | 2/20 | 0.49 |
| ▸ | KDR | P35968 | 2/20 | 0.49 |
| ▸ | VNN1 | O95497 | 2/20 | 0.49 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL8419625 | 0.80 | VNN1 (0.60) | MAOAMAOBKDM4ENPC1RAB9A | |
| SCHEMBL15200781 | 0.76 | PDE10A (0.51) | MAOAMAOBKDM4ENPC1RAB9A | |
| SCHEMBL1244338 | 0.75 | MAOA (0.70) | MAOAMAOBKDM4ENPC1RAB9A | |
| SCHEMBL22191119 | 0.75 | HDAC3 (0.60) | MAOAMAOBKDM4ENPC1RAB9A | |
| SCHEMBL7260433 | 0.75 | PIP4K2C (0.59) | MAOAMAOBKDM4ENPC1RAB9A | |
| SCHEMBL27829679 | 0.74 | ADRA2C (0.50) | KDM4ERAB9AMAPTHDAC3HDAC1 | |
| SCHEMBL17620760 | 0.73 | MAOA (0.58) | MAOAMAOBKDM4ENPC1RAB9A | |
| SCHEMBL2397579 | 0.73 | GAA (0.60) | MAOAMAOBKDM4ENPC1RAB9A | |
| SCHEMBL4290043 | 0.73 | MAOA (0.58) | MAOAMAOBKDM4ENPC1RAB9A | |
| SCHEMBL7118813 | 0.73 | MAOA (0.65) | MAOAMAOBKDM4ENPC1RAB9A |
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-104203939-B | Diaminopyrimidines as human Respiratory Syncytial Virus (RSV) inhibitors | 艾伯维公司 | 2017-06-06 | — | — | CN | disclosed |