Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.50 |
| ▸ | TAAR1 | Q96RJ0 | 4/20 | 0.43 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.42 |
| ▸ | LOXL2 | Q9Y4K0 | 6/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.39 |
| ▸ | ASIC3 | Q9UHC3 | 1/20 | 0.38 |
| ▸ | LTA4H | P09960 | 1/20 | 0.37 |
| ▸ | ABAT | P80404 | 1/20 | 0.37 |
| ▸ | AKT2 | P31751 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL27588484 | 0.82 | CDK8 (0.42) | HRH3TAAR1ADRB2LOXL2CYP2A6 | |
| SCHEMBL27588743 | 0.77 | ALDH1A1 (0.43) | TAAR1ASIC3KDM4ENPC1ALDH1A1 | |
| SCHEMBL27606414 | 0.76 | HRH3 (0.55) | HRH3TAAR1ALDH1A1 | |
| SCHEMBL27606297 | 0.72 | ESR1 (0.43) | KDM4ENPC1ALDH1A1TP53HPGD | |
| SCHEMBL27606385 | 0.72 | HRH3 (0.39) | HRH3TAAR1ADRB2LOXL2CYP2A6 | |
| SCHEMBL2274647 | 0.69 | HRH3 (1.00) | HRH3TAAR1ADRB2LOXL2CYP2A6 | |
| SCHEMBL27606510 | 0.68 | TP53 (0.46) | KDM4ENPC1ALDH1A1TP53HPGD | |
| SCHEMBL16719995 | 0.68 | HRH3 (0.50) | HRH3TAAR1ADRB2LOXL2CYP2A6 | |
| SCHEMBL27606266 | 0.67 | MAOA (0.47) | KDM4EALDH1A1HPGD | |
| SCHEMBL15828 | 0.66 | HRH3 (0.79) | HRH3TAAR1ADRB2LOXL2LTA4H |
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 |