Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IMPDH2 | P12268 | 4/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | HTR2A | P28223 | 3/20 | 0.34 |
| ▸ | HTR2C | P28335 | 2/20 | 0.34 |
| ▸ | HTR2B | P41595 | 2/20 | 0.34 |
| ▸ | ASH1L | Q9NR48 | 1/20 | 0.34 |
| ▸ | PARP1 | P09874 | 1/20 | 0.33 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.33 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.33 |
| ▸ | CLK1 | P49759 | 1/20 | 0.33 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.33 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.32 |
| ▸ | PLG | P00747 | 1/20 | 0.31 |
| ▸ | PLAU | P00749 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL27648954 | 0.89 | HTR2A (0.41) | ALDH1A1HTR2AHTR2CHTR2BFFAR1 | |
| SCHEMBL27526971 | 0.84 | NR4A2 (0.44) | KDM4EALDH1A1MAPTHTR2AFFAR1 | |
| SCHEMBL27550865 | 0.83 | NR4A2 (0.46) | KDM4EALDH1A1MAPTHTR2AGPR84 | |
| SCHEMBL27528319 | 0.83 | CYP2A6 (0.51) | IMPDH2KDM4EALDH1A1MAPTCYP2A6 | |
| SCHEMBL27785494 | 0.83 | HTR2C (0.40) | KDM4EALDH1A1MAPTHTR2AHTR2C | |
| SCHEMBL28658779 | 0.83 | GPR84 (0.43) | HTR2AHTR2CGPR84 | |
| SCHEMBL27552422 | 0.83 | ALDH1A1 (0.35) | KDM4EALDH1A1MAPTHTR2AHTR2C | |
| SCHEMBL27792585 | 0.82 | HTR2A (0.38) | KDM4EALDH1A1MAPTHTR2AHTR2C | |
| SCHEMBL28929780 | 0.82 | ALDH1A1 (0.57) | KDM4EALDH1A1MAPTHTR2AHTR2C | |
| SCHEMBL28291597 | 0.81 | PLG (0.42) | IMPDH2KDM4EALDH1A1HTR2CASH1L |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105745192-A | Substituted phenylalanine derivatives | 拜耳制药股份公司 | 2016-07-06 | — | — | CN | disclosed |
| CN-105164122-A | Substituted oxopyridine derivatives and their use in the treatment of cardiovascular disorders | Bayer Pharma AG | 2015-12-16 | — | — | CN | disclosed |
| CN-101790313-A | Compound (I) | SMITHKLINE BEECHAM CORP | 2010-07-28 | — | — | CN | disclosed |