Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 4/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | TRPV4 | Q9HBA0 | 1/20 | 0.35 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL14736116 | 0.81 | THRB (0.34) | KDM4ELMNACYP1A2CYP3A4CYP2C19 | |
| SCHEMBL14742479 | 0.80 | KDM4E (0.32) | KDM4ELMNACYP1A2CYP3A4CYP2C19 | |
| SCHEMBL14736127 | 0.80 | POLB (0.33) | KDM4ELMNACYP1A2CYP3A4CYP2C19 | |
| SCHEMBL9929220 | 0.80 | LMNA (0.34) | KDM4ELMNACYP1A2CYP3A4CYP2C19 | |
| SCHEMBL9954200 | 0.79 | HTR2A (0.36) | KDM4ELMNACYP1A2CYP3A4CYP2C19 | |
| SCHEMBL9929200 | 0.79 | TSHR (0.39) | KDM4ELMNACYP3A4HTTPOLB | |
| SCHEMBL14742217 | 0.79 | CYP1A2 (0.34) | KDM4ELMNACYP1A2CYP3A4CYP2C19 | |
| SCHEMBL28114068 | 0.78 | HPGD (0.41) | KDM4ELMNAHTTPOLBALOX15 | |
| SCHEMBL28825372 | 0.75 | KDM4E (0.41) | KDM4ELMNACYP1A2CYP3A4CYP2C19 | |
| SCHEMBL9952820 | 0.73 | THRB (0.36) | LMNAHTTPOLBALOX15ALDH1A1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106986867-B | Heterocycle amine as PI3K inhibitor | 因塞特控股公司 | 2019-06-28 | — | — | CN | disclosed |
| CN-109010343-A | The purposes of Pyrazolopyrimidine derivative treatment PI3K δ associated disease | 因赛特公司 | 2018-12-18 | — | — | CN | disclosed |
| CN-104024253-B | Heterocyclic amines as PI3K inhibitors | INCYTE HOLDINGS CORP. (US) | 2016-11-30 | — | — | CN | disclosed |
| CN-105120871-A | Use of pyrazolopyrimidine derivatives for the treatment of PI 3K-related disorders | INCYTE CORP | 2015-12-02 | — | — | CN | disclosed |