Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IMPDH2 | P12268 | 1/20 | 0.50 |
| ▸ | MPO | P05164 | 7/20 | 0.44 |
| ▸ | SLC6A4 | P31645 | 5/20 | 0.44 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.42 |
| ▸ | CLK1 | P49759 | 1/20 | 0.42 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.42 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.42 |
| ▸ | PARP1 | P09874 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | RECQL | P46063 | 1/20 | 0.37 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.37 |
| ▸ | HTR2A | P28223 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL31049406 | 0.80 | GPR84 (0.64) | MPOSLC6A4GPR84 | |
| SCHEMBL30799504 | 0.75 | IMPDH2 (0.50) | IMPDH2TDP1ALDH1A1CYP3A4HPGD | |
| SCHEMBL21893421 | 0.75 | GPR84 (0.58) | IMPDH2MPOSLC6A4GPR84TDP1 | |
| SCHEMBL30215956 | 0.75 | IMPDH2 (0.50) | IMPDH2TDP1ALDH1A1CYP3A4HPGD | |
| SCHEMBL5266825 | 0.75 | IMPDH2 (0.50) | IMPDH2TDP1ALDH1A1CYP3A4HPGD | |
| SCHEMBL1012163 | 0.75 | IMPDH2 (0.50) | IMPDH2TDP1ALDH1A1CYP3A4HPGD | |
| SCHEMBL31049262 | 0.75 | DYRK1A (0.55) | MPOSLC6A4GPR84CLK1CDK5 | |
| SCHEMBL7089054 | 0.75 | REN (0.50) | IMPDH2TDP1ALDH1A1CYP3A4HPGD | |
| SCHEMBL31049280 | 0.75 | HTR2A (0.56) | GPR84HTR2AMAPTSMN1; SMN2NPSR1 | |
| SCHEMBL27174846 | 0.75 | IMPDH2 (0.46) | IMPDH2MPOSLC6A4GPR84TDP1 |
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-104302641-A | Monocyclic heteroaryl cycloalkyldiamine derivatives | NOVARTIS AG | 2015-01-21 | — | — | CN | disclosed |