Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 5/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | THRA | P10827 | 1/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 3/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | KLK7 | P49862 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | XBP1 | P17861 | 1/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | ELANE | P08246 | 2/20 | 0.34 |
| ▸ | AGTR2 | P50052 | 1/20 | 0.33 |
| ▸ | MTNR1A | P48039 | 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 | |
|---|---|---|---|---|
| SCHEMBL4078497 | 0.96 | ESR1 (0.38) | ESR1KMT2AKDM4EMAPTHPGD | |
| SCHEMBL4078396 | 0.90 | ESR1 (0.40) | ESR1KMT2AKDM4EMAPTTHRA | |
| SCHEMBL4073647 | 0.89 | MAPT (0.40) | ESR1KMT2AKDM4EMAPTTHRA | |
| SCHEMBL4082612 | 0.86 | ESR1 (0.40) | ESR1KMT2AKDM4EMAPTL3MBTL1 | |
| SCHEMBL4073822 | 0.85 | MAPT (0.40) | ESR1KMT2AKDM4EMAPTEGLN1 | |
| SCHEMBL4071784 | 0.83 | EGLN1 (0.41) | KMT2ATHRATHRBEGLN1L3MBTL1 | |
| SCHEMBL523590 | 0.83 | ESR1 (0.44) | ESR1MAPTTHRATHRBEGLN1 | |
| SCHEMBL4078616 | 0.82 | EGLN1 (0.41) | KMT2AKDM4ETHRATHRBEGLN1 | |
| SCHEMBL4255377 | 0.79 | L3MBTL1 (0.42) | KMT2AEGLN1L3MBTL1ALDH1A1 | |
| SCHEMBL4076022 | 0.79 | THRA (0.41) | KMT2AKDM4EMAPTTHRATHRB |
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 |
|---|---|---|---|---|---|---|---|
| EP-1538160-B1 | Substituted Isoquinolin-3-carboxyamides, their preparation and medical use | FIBROGEN INC (US) | 2009-06-03 | — | — | EP | disclosed |
| EP-0911340-B1 | Substituted Isoquinolin-3-Carboxyamides, their preparation and medical use | FIBROGEN INC (US) | 2005-07-06 | — | — | EP | disclosed |
| EP-1538160-A1 | Substituted Isoquinolin-3-carboxyamides, their preparation and medical use | FIBROGEN, INC. (US) | 2005-06-08 | — | — | EP | disclosed |
| EP-0911340-A2 | Substituted Isoquinolin-3-Carboxyamides, their preparation and medical use | Hoechst Marion Roussel Deutschland GmbH (DE) | 1999-04-28 | — | — | EP | disclosed |