Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.52 |
| ▸ | GAA | P10253 | 2/20 | 0.52 |
| ▸ | PDPK1 | O15530 | 2/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | IDO1 | P14902 | 3/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | TTK | P33981 | 2/20 | 0.48 |
| ▸ | MAPK10 | P53779 | 2/20 | 0.48 |
| ▸ | ALPL | P05186 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
| ▸ | LRRK2 | Q5S007 | 3/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | RARG | P13631 | 1/20 | 0.42 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | FGFR1 | P11362 | 2/20 | 0.40 |
| ▸ | FLT1 | P17948 | 2/20 | 0.40 |
| ▸ | AURKA | O14965 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL561564 | 0.79 | KDM4E (0.52) | KDM4EGAAPDPK1CYP3A4IDO1 | |
| SCHEMBL298966 | 0.79 | KDM4E (0.52) | KDM4EGAAPDPK1CYP3A4IDO1 | |
| SCHEMBL730639 | 0.79 | KDM4E (0.52) | KDM4EGAAPDPK1CYP3A4IDO1 | |
| SCHEMBL7329986 | 0.79 | KDM4E (0.52) | KDM4EGAAPDPK1CYP3A4IDO1 | |
| SCHEMBL29643994 | 0.79 | KDM4E (0.52) | KDM4EGAAPDPK1CYP3A4IDO1 | |
| SCHEMBL7331167 | 0.79 | KDM4E (0.57) | KDM4EGAAPDPK1CYP3A4IDO1 | |
| SCHEMBL31190846 | 0.79 | KDM4E (0.52) | KDM4EGAAPDPK1CYP3A4IDO1 | |
| SCHEMBL14412480 | 0.79 | KDM4E (0.52) | KDM4EGAAPDPK1CYP3A4IDO1 | |
| SCHEMBL5693192 | 0.79 | KDM4E (0.52) | KDM4EGAAPDPK1CYP3A4IDO1 | |
| Hydrochloric Acid SCHEMBL31208116 | 0.78 | KDM4E (0.50) | KDM4EGAAPDPK1CYP3A4IDO1 |
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-5543517-A | VIRICIDES | THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) | 1996-08-06 | — | — | US | claimed |
| CN-107072985-A | Therapeutic inhibiting compound | 莱福斯希医药公司 | 2017-08-18 | — | — | CN | disclosed |