Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 6/20 | 0.43 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.43 |
| ▸ | MEN1 | O00255 | 5/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | NPC1 | O15118 | 3/20 | 0.41 |
| ▸ | RAB9A | P51151 | 3/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.41 |
| ▸ | RELA | Q04206 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | MMP3 | P08254 | 2/20 | 0.37 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.37 |
| ▸ | SENP1 | Q9P0U3 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL27588743 | 0.77 | ALDH1A1 (0.43) | MEN1KMT2AMAPTNPC1RAB9A | |
| SCHEMBL2535482 | 0.76 | ALDH1A1 (0.38) | MEN1KMT2ANPC1RAB9ANFKB1 | |
| SCHEMBL27606517 | 0.75 | HSD17B1 (0.48) | ESR1ESR2ALDH1A1HSD17B10CA12 | |
| SCHEMBL27606510 | 0.72 | TP53 (0.46) | ESR2KMT2AMAPTNPC1RAB9A | |
| SCHEMBL27606576 | 0.72 | HRH3 (0.50) | NPC1TP53SMN1; SMN2ALDH1A1HPGD | |
| Hydroquinone SCHEMBL5712110 | 0.64 | ESR1 (1.00) | ESR1ESR2MEN1KMT2AMAPT | |
| SCHEMBL15632 | 0.64 | ESR1 (1.00) | ESR1ESR2MEN1KMT2AMAPT | |
| SCHEMBL368272 | 0.64 | ESR1 (1.00) | ESR1ESR2MEN1KMT2AMAPT | |
| SCHEMBL6292004 | 0.64 | ESR1 (1.00) | ESR1ESR2MEN1KMT2AMAPT | |
| SCHEMBL9090705 | 0.64 | ESR1 (1.00) | ESR1ESR2MEN1KMT2AMAPT |
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 |