Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ENPP2 | Q13822 | 1/20 | 0.44 |
| ▸ | HTR1B | P28222 | 1/20 | 0.43 |
| ▸ | DRD2 | P14416 | 2/20 | 0.42 |
| ▸ | DRD1 | P21728 | 2/20 | 0.42 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.42 |
| ▸ | DHFR | P00374 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | BLM | P54132 | 1/20 | 0.40 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.40 |
| ▸ | SLC2A4 | P14672 | 1/20 | 0.39 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL27588582 | 0.79 | MAOB (0.43) | CYP3A4LMNAMAPTCA12ALDH1A1 | |
| SCHEMBL27588592 | 0.79 | PNMT (0.40) | ENPP2CYP3A4NFKB1ALDH1A1 | |
| SCHEMBL28752790 | 0.78 | ESR1 (0.50) | TAAR1LMNAKMT2AKDM4EBLM | |
| SCHEMBL27606407 | 0.76 | ALDH1A1 (0.40) | TAAR1ALDH1A1 | |
| SCHEMBL70267 | 0.74 | ENPP2 (0.65) | ENPP2HTR1BDRD2DRD1TAAR1 | |
| SCHEMBL30979264 | 0.74 | ENPP2 (0.65) | ENPP2HTR1BDRD2DRD1TAAR1 | |
| SCHEMBL27606385 | 0.71 | HRH3 (0.39) | TAAR1CA12CA2CA5ACA9 | |
| SCHEMBL30471604 | 0.69 | IDH1 (0.59) | ENPP2DRD2DRD1TAAR1CYP3A4 | |
| SCHEMBL1531575 | 0.69 | IDH1 (0.59) | ENPP2DRD2DRD1TAAR1CYP3A4 | |
| SCHEMBL27543797 | 0.68 | CYP17A1 (0.38) | CYP3A4CYP1A2MAPTALDH1A1HSD17B10 |
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 |