Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.40 |
| ▸ | NOS3 | P29474 | 1/20 | 0.35 |
| ▸ | NOS1 | P29475 | 1/20 | 0.35 |
| ▸ | NOS2 | P35228 | 1/20 | 0.35 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.34 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.32 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.30 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.30 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL27606407 | 0.83 | ALDH1A1 (0.40) | HRH3ALDH1A1TSHRTAAR1NOS1 | |
| SCHEMBL27606454 | 0.78 | — | — | |
| SCHEMBL27588470 | 0.76 | SLC6A4 (0.44) | ALDH1A1TSHRSLC6A2SLC6A4SLC6A3 | |
| SCHEMBL27588567 | 0.76 | CYP3A4 (0.50) | HRH3ALDH1A1TSHRCYP3A4TDP1 | |
| SCHEMBL27606385 | 0.76 | HRH3 (0.39) | HRH3TAAR1 | |
| SCHEMBL27588474 | 0.75 | LTA4H (0.48) | ALDH1A1TAAR1POLB | |
| SCHEMBL27606414 | 0.75 | HRH3 (0.55) | HRH3ALDH1A1TSHRTAAR1NOS3 | |
| SCHEMBL486262 | 0.75 | CALM1 (0.46) | HRH3ALDH1A1TSHRTAAR1 | |
| SCHEMBL27543797 | 0.73 | CYP17A1 (0.38) | HRH3ALDH1A1TSHRCYP3A4HDAC6 | |
| SCHEMBL659509 | 0.71 | HRH3 (0.82) | HRH3ALDH1A1TSHRTAAR1NOS3 |
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-1553900-A | Acylsemicarbazides as cyclin dependent kinase inhibitors useful as anti-cancer and anti-proliferative agents | ��ʱ��ʩ����ҩ��˾ | 2004-12-08 | — | — | CN | disclosed |