Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPRT1 | P00492 | 3/20 | 0.47 |
| ▸ | ESR1 | P03372 | 5/20 | 0.46 |
| ▸ | ESR2 | Q92731 | 5/20 | 0.46 |
| ▸ | PTPN22 | Q9Y2R2 | 1/20 | 0.44 |
| ▸ | TRPM4 | Q8TD43 | 1/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | APEX1 | P27695 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.41 |
| ▸ | PAK1 | Q13153 | 1/20 | 0.41 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.41 |
| ▸ | FYN | P06241 | 1/20 | 0.41 |
| ▸ | MAOA | P21397 | 1/20 | 0.41 |
| ▸ | ACHE | P22303 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL27444109 | 0.83 | HPRT1 (0.50) | HPRT1PTPN22TRPM4CYP2A6POLB | |
| SCHEMBL29975482 | 0.80 | CYP2A6 (0.60) | HPRT1ESR1ESR2PTPN22CYP2A6 | |
| SCHEMBL459346 | 0.80 | CYP2A6 (0.60) | HPRT1ESR1ESR2PTPN22CYP2A6 | |
| SCHEMBL27278968 | 0.78 | CYP1A2 (0.48) | HPRT1TRPM4CYP2A6LMNACYP3A4 | |
| SCHEMBL27264740 | 0.77 | ALDH1A1 (0.48) | HPRT1ESR1ESR2TRPM4CYP2A6 | |
| SCHEMBL24372659 | 0.76 | HSD17B10 (0.56) | HPRT1CYP2A6LMNACYP3A4MAPT | |
| SCHEMBL31222433 | 0.76 | HSD17B10 (0.56) | HPRT1CYP2A6LMNACYP3A4MAPT | |
| SCHEMBL27594916 | 0.76 | HPRT1 (0.50) | HPRT1TRPM4CYP2A6LMNACYP3A4 | |
| SCHEMBL17841964 | 0.74 | HPRT1 (0.58) | HPRT1CYP2A6LMNACYP3A4MAPT | |
| SCHEMBL27760500 | 0.74 | TRPM4 (0.65) | HPRT1PTPN22TRPM4CYP2A6POLB |
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-106083823-A | One class has the compound of kinase inhibiting activity, preparation method and purposes | 中国科学院上海药物研究所 | 2016-11-09 | — | — | CN | disclosed |