Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 13/20 | 0.61 |
| ▸ | SMN1; SMN2 | Q16637 | 12/20 | 0.61 |
| ▸ | KDM4E | B2RXH2 | 11/20 | 0.61 |
| ▸ | GAA | P10253 | 9/20 | 0.61 |
| ▸ | NPC1 | O15118 | 9/20 | 0.61 |
| ▸ | RAB9A | P51151 | 9/20 | 0.61 |
| ▸ | HPGD | P15428 | 9/20 | 0.61 |
| ▸ | GLA | P06280 | 6/20 | 0.61 |
| ▸ | TP53 | P04637 | 6/20 | 0.61 |
| ▸ | L3MBTL1 | Q9Y468 | 5/20 | 0.61 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.61 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.61 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.61 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.61 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.61 |
| ▸ | MAPT | P10636 | 11/20 | 0.57 |
| ▸ | POLB | P06746 | 6/20 | 0.57 |
| ▸ | NFKB1 | P19838 | 3/20 | 0.56 |
| ▸ | NFKB2 | Q00653 | 3/20 | 0.56 |
| ▸ | RELA | Q04206 | 3/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL20184752 | 1.00 | ALDH1A1 (0.61) | ALDH1A1SMN1; SMN2KDM4EGAANPC1 | |
| SCHEMBL12479063 | 0.77 | TNF (0.65) | ALDH1A1SMN1; SMN2NPC1RAB9ATP53 | |
| SCHEMBL29467866 | 0.76 | SMN1; SMN2 (1.00) | ALDH1A1SMN1; SMN2KDM4EGAANPC1 | |
| SCHEMBL22822638 | 0.76 | SMN1; SMN2 (1.00) | ALDH1A1SMN1; SMN2KDM4EGAANPC1 | |
| SCHEMBL11192277 | 0.75 | TSHR (0.68) | SMN1; SMN2GAARAB9AHPGDTP53 | |
| SCHEMBL22822636 | 0.74 | ALDH1A1 (0.76) | ALDH1A1SMN1; SMN2KDM4EGAANPC1 | |
| SCHEMBL13166604 | 0.74 | SMN1; SMN2 (0.90) | ALDH1A1SMN1; SMN2KDM4EGAANPC1 | |
| SCHEMBL22823061 | 0.72 | SMN1; SMN2 (0.81) | ALDH1A1SMN1; SMN2KDM4EGAANPC1 | |
| SCHEMBL18969781 | 0.72 | KDM4E (1.00) | ALDH1A1SMN1; SMN2KDM4EGAANPC1 | |
| SCHEMBL22822637 | 0.71 | SMN1; SMN2 (0.79) | ALDH1A1SMN1; SMN2KDM4EGAANPC1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1945209-B1 | BROAD SPECTRUM ANTIBACTERIAL COMPOUNDS | US GOV AS REPRESENTED BY THE SECRETARY OF THE UNITED STATES ARMY AND THE U S ARMY MEDICAL RESEARCH (US) | 2018-05-30 | — | — | EP | disclosed |