Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 1.00 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.55 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | HCAR2 | Q8TDS4 | 2/20 | 0.35 |
| ▸ | GSK3B | P49841 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | RIPK1 | Q13546 | 2/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | MCL1 | Q07820 | 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 | |
|---|---|---|---|---|
| SCHEMBL1696242 | 0.81 | NPC1 (0.68) | NPC1KDM4EMAPTGSK3BMEN1 | |
| SCHEMBL8630183 | 0.76 | MAPT (0.64) | NPC1KDM4EMAPTHCAR2CYP1A2 | |
| SCHEMBL8634643 | 0.76 | MAPT (0.64) | NPC1KDM4EMAPTHCAR2CYP1A2 | |
| SCHEMBL8630641 | 0.76 | MAPT (0.64) | NPC1KDM4EMAPTHCAR2CYP1A2 | |
| SCHEMBL8962833 | 0.73 | NPC1 (0.57) | NPC1KDM4EMAPTHCAR2CYP1A2 | |
| SCHEMBL2840325 | 0.71 | NPC1 (0.55) | NPC1KDM4EMAPTGSK3BCYP1A2 | |
| SCHEMBL3028186 | 0.70 | NPC1 (0.54) | NPC1KDM4EMAPTGSK3BMEN1 | |
| SCHEMBL2844643 | 0.68 | NPC1 (0.51) | NPC1KDM4EMAPTGSK3BMEN1 | |
| SCHEMBL5671163 | 0.67 | NPC1 (0.50) | NPC1KDM4EMAPTHCAR2KMT2A | |
| SCHEMBL3109662 | 0.66 | NPC1 (0.49) | NPC1KDM4EMAPTGSK3BMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5824652-A | IMMUNOSTIMULANTS, ANTITUMOR AGENTS | UNIVERZA V LJUBLJANI, FAKULTETA ZA NARAVOSLOVJE IN TECHNOLOGIJO, ODDELEK ZA FARMACIJO (SI) | 1998-10-20 | — | — | US | disclosed |
| EP-0695308-B1 | NOVEL HETEROCYCLIC ACYLDIPEPTIDES, PROCESSES FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME | UNIV LJUBLJANI (SI) | 1998-07-01 | — | — | EP | disclosed |