Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | HPGD | P15428 | 2/20 | 0.46 |
| ▸ | MAP2K2 | P36507 | 3/20 | 0.41 |
| ▸ | MAP2K1 | Q02750 | 3/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | PDE7A | Q13946 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.38 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | CASP1 | P29466 | 1/20 | 0.34 |
| ▸ | RECQL | P46063 | 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 | |
|---|---|---|---|---|
| SCHEMBL1772509 | 0.85 | ALDH1A1 (0.50) | ALDH1A1KDM4EMAPTHPGDMAP2K2 | |
| SCHEMBL31060671 | 0.84 | MAP2K2 (0.39) | ALDH1A1KDM4EMAPTHPGDMAP2K2 | |
| SCHEMBL2638192 | 0.84 | MAP2K2 (0.39) | ALDH1A1KDM4EMAPTHPGDMAP2K2 | |
| SCHEMBL2639266 | 0.84 | ADORA1 (0.40) | ALDH1A1KDM4EMAPTHPGDMAP2K2 | |
| SCHEMBL8641894 | 0.84 | KDM4E (0.44) | ALDH1A1KDM4EMAPTHPGDMAP2K2 | |
| SCHEMBL2637932 | 0.84 | KDM4E (0.49) | ALDH1A1KDM4EMAPTHPGDMAP2K2 | |
| SCHEMBL8644586 | 0.83 | KDM4E (0.45) | ALDH1A1KDM4EMAPTHPGDMAP2K2 | |
| SCHEMBL2637963 | 0.82 | MAP2K2 (0.38) | ALDH1A1KDM4EMAPTHPGDMAP2K2 | |
| SCHEMBL8640275 | 0.81 | DHFR (0.50) | ALDH1A1KDM4EMAPTHPGDCYP3A4 | |
| SCHEMBL2638309 | 0.80 | HTR1A (0.39) | ALDH1A1KDM4EMAPTHPGDMAP2K2 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5723452-A | Therapeutic benzonitriles | GLAXO WELLCOME INC. (US) | 1998-03-03 | — | — | US | claimed |
| EP-0748311-A1 | THERAPEUTIC BENZONITRILES | THE WELLCOME FOUNDATION LIMITED (GB) | 1996-12-18 | — | — | EP | claimed |
| WO-1995023133-A1 | THERAPEUTIC BENZONITRILES | THE WELLCOME FOUNDATION LIMITED (GB) | 1995-08-31 | — | — | WO | claimed |
| US-5723452-A | Therapeutic benzonitriles | GLAXO WELLCOME INC. (US) | 1998-03-03 | — | — | US | disclosed |
| EP-0748311-A1 | THERAPEUTIC BENZONITRILES | THE WELLCOME FOUNDATION LIMITED (GB) | 1996-12-18 | — | — | EP | disclosed |
| WO-1995023133-A1 | THERAPEUTIC BENZONITRILES | THE WELLCOME FOUNDATION LIMITED (GB) | 1995-08-31 | — | — | WO | disclosed |