Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.67 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.61 |
| ▸ | MPO | P05164 | 1/20 | 0.61 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.61 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.61 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.61 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.61 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.61 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.61 |
| ▸ | GAA | P10253 | 1/20 | 0.59 |
| ▸ | TP53 | P04637 | 1/20 | 0.55 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.54 |
| ▸ | HTT | P42858 | 1/20 | 0.53 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.52 |
| ▸ | CA1 | P00915 | 1/20 | 0.52 |
| ▸ | CA9 | Q16790 | 1/20 | 0.52 |
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
| ▸ | MAOA | P21397 | 1/20 | 0.52 |
| ▸ | MAOB | P27338 | 1/20 | 0.52 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL2004792 | 0.80 | ALDH1A1 (0.73) | ALDH1A1KDM4EMPOCYP1A2CYP3A4 | |
| SCHEMBL2992964 | 0.80 | ALDH1A1 (1.00) | ALDH1A1KDM4EMPOCYP1A2CYP3A4 | |
| SCHEMBL2998145 | 0.78 | HDAC6 (0.76) | ALDH1A1KDM4EMPOCYP1A2CYP3A4 | |
| Isoniazid SCHEMBL28211874 | 0.77 | KDM4E (0.91) | ALDH1A1KDM4EMPOCYP1A2CYP3A4 | |
| SCHEMBL8150076 | 0.76 | ALDH1A1 (0.67) | ALDH1A1KDM4EMPOCYP1A2CYP3A4 | |
| SCHEMBL1744086 | 0.76 | ALDH1A1 (0.67) | ALDH1A1KDM4EMPOCYP1A2CYP3A4 | |
| Isoniazid SCHEMBL228 | 0.76 | KDM4E (1.00) | ALDH1A1KDM4EMPOCYP1A2CYP3A4 | |
| Isoniazid SCHEMBL12264081 | 0.76 | KDM4E (1.00) | ALDH1A1KDM4EMPOCYP1A2CYP3A4 | |
| Isoniazid SCHEMBL16642160 | 0.76 | KDM4E (1.00) | ALDH1A1KDM4EMPOCYP1A2CYP3A4 | |
| Isoniazid SCHEMBL2390873 | 0.76 | KDM4E (1.00) | ALDH1A1KDM4EMPOCYP1A2CYP3A4 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2005019177-A1 | AMINOPIPERIDINE AMIDE DERIVATIVES AS VLA-1 INTEGRIN ANTAGONISTS AND USES THEREOF | ICOS CORPORATION (US) | 2005-03-03 | — | — | WO | claimed |
| WO-2005019177-A1 | AMINOPIPERIDINE AMIDE DERIVATIVES AS VLA-1 INTEGRIN ANTAGONISTS AND USES THEREOF | ICOS CORPORATION (US) | 2005-03-03 | — | — | WO | disclosed |