Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.43 |
| ▸ | TP53 | P04637 | 2/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.37 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 5/20 | 0.37 |
| ▸ | RAB9A | P51151 | 5/20 | 0.37 |
| ▸ | MEN1 | O00255 | 5/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.36 |
| ▸ | MAPT | P10636 | 5/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.35 |
| ▸ | HPGD | P15428 | 3/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | APP | P05067 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.32 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.32 |
| ▸ | METAP2 | P50579 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL27606297 | 0.77 | ESR1 (0.43) | ALDH1A1CYP3A4TP53HSD17B10NPC1 | |
| SCHEMBL27606576 | 0.77 | HRH3 (0.50) | ALDH1A1TP53HSD17B10TAAR1NPC1 | |
| SCHEMBL27606266 | 0.75 | MAOA (0.47) | ALDH1A1CYP3A4MEN1KMT2AMAPT | |
| SCHEMBL27606510 | 0.72 | TP53 (0.46) | ALDH1A1TP53NPC1RAB9AKMT2A | |
| Benzidine SCHEMBL720393 | 0.64 | CYP3A4 (1.00) | ALDH1A1TDP1CYP3A4TP53HSD17B10 | |
| SCHEMBL258287 | 0.64 | CYP3A4 (1.00) | ALDH1A1TDP1CYP3A4TP53HSD17B10 | |
| Benzidine SCHEMBL29021 | 0.64 | CYP3A4 (1.00) | ALDH1A1TDP1CYP3A4TP53HSD17B10 | |
| SCHEMBL2024128 | 0.64 | CYP3A4 (1.00) | ALDH1A1TDP1CYP3A4TP53HSD17B10 | |
| SCHEMBL28842081 | 0.64 | CYP3A4 (1.00) | ALDH1A1TDP1CYP3A4TP53HSD17B10 | |
| Benzidine SCHEMBL5140469 | 0.64 | CYP3A4 (1.00) | ALDH1A1TDP1CYP3A4TP53HSD17B10 |
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 |