Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | GCGR | P47871 | 3/20 | 0.38 |
| ▸ | MAPK14 | Q16539 | 3/20 | 0.38 |
| ▸ | MAOA | P21397 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 1/20 | 0.35 |
| ▸ | CTSV | O60911 | 1/20 | 0.35 |
| ▸ | CTSL | P07711 | 1/20 | 0.35 |
| ▸ | PTK2 | Q05397 | 2/20 | 0.35 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.35 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.35 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.34 |
| ▸ | CDK1 | P06493 | 1/20 | 0.34 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.34 |
| ▸ | GSK3A | P49840 | 1/20 | 0.34 |
| ▸ | GSK3B | P49841 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL194128 | 0.70 | AXL (0.45) | MAPTKMT2AKDM4EALDH1A1GAA | |
| SCHEMBL194942 | 0.70 | PTGS2 (0.47) | MAPTKMT2AKDM4EALDH1A1GAA | |
| SCHEMBL27575026 | 0.67 | MAOA (0.41) | MAOAMAOBCYP11B1CYP11B2 | |
| SCHEMBL28220967 | 0.67 | ERCC1 (0.46) | MAPTKMT2AALDH1A1GAACTSV | |
| SCHEMBL11737297 | 0.66 | ERCC1 (0.57) | MAPTKMT2AKDM4EALDH1A1GAA | |
| SCHEMBL1463119 | 0.62 | CYP11B2 (0.49) | KMT2AKDM4EALDH1A1GCGRMAPK14 | |
| SCHEMBL15018349 | 0.61 | TRPV4 (0.52) | MAOAMAOBCYP11B1CYP11B2 | |
| SCHEMBL17827370 | 0.60 | CYP11B2 (0.59) | KMT2AKDM4EALDH1A1HTTMAOA | |
| SCHEMBL194510 | 0.60 | ALDH1A1 (0.51) | MAPTKMT2AKDM4EALDH1A1GAA | |
| SCHEMBL194615 | 0.60 | ALDH1A1 (0.48) | MAPTKMT2AKDM4EALDH1A1GAA |
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-105524046-A | Process for producing pyrrole compound | TAKEDA PHARMACEUTICAL | 2016-04-27 | — | — | CN | disclosed |
| CN-102421753-B | Process for preparing azole compounds | TAKEDA PHARMACEUTICAL | 2014-12-31 | — | — | CN | disclosed |
| CN-104211618-A | Process for producing pyrrole compound | TAKEDA PHARMACEUTICAL | 2014-12-17 | — | — | CN | disclosed |
| CN-102421753-A | Process for preparing azole compounds | TAKEDA PHARMACEUTICAL | 2012-04-18 | — | — | CN | disclosed |