Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 9/20 | 0.44 |
| ▸ | CCNE2 | O96020 | 1/20 | 0.43 |
| ▸ | CDK4 | P11802 | 1/20 | 0.43 |
| ▸ | CCND1 | P24385 | 1/20 | 0.43 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.43 |
| ▸ | CDK2 | P24941 | 1/20 | 0.43 |
| ▸ | IKBKB | O14920 | 2/20 | 0.41 |
| ▸ | RPS6KB2 | Q9UBS0 | 1/20 | 0.40 |
| ▸ | JAK2 | O60674 | 1/20 | 0.40 |
| ▸ | JAK3 | P52333 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL6533209 | 0.83 | PARP1 (0.41) | PARP1CCNE2CDK4CCND1CCNE1 | |
| SCHEMBL31661920 | 0.71 | IKBKB (0.55) | IKBKBRPS6KB2KDM4EKMT2AALDH1A1 | |
| SCHEMBL1385872 | 0.70 | IKBKB (0.67) | IKBKBJAK2JAK3KDM4EKMT2A | |
| SCHEMBL7503112 | 0.68 | KDM4E (0.40) | IKBKBRPS6KB2JAK2KDM4EALDH1A1 | |
| SCHEMBL2771222 | 0.68 | RAB9A (0.60) | KDM4EKMT2AHSD17B10RAB9ASMN1; SMN2 | |
| SCHEMBL31238942 | 0.67 | PARP1 (0.46) | PARP1JAK2KDM4EKMT2AALDH1A1 | |
| SCHEMBL10406074 | 0.67 | PARP1 (0.46) | PARP1JAK2KDM4EKMT2AALDH1A1 | |
| SCHEMBL4341036 | 0.67 | KDM4E (0.50) | IKBKBRPS6KB2JAK2KDM4EKMT2A | |
| SCHEMBL28108675 | 0.67 | PARP1 (0.59) | PARP1KDM4EALDH1A1GAA | |
| SCHEMBL29412126 | 0.67 | PKN1 (0.64) | PARP1GAA |
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 |
|---|---|---|---|---|---|---|---|
| WO-2005105777-A1 | SUBSTITUTED THIOPHENE AMIDE COMPOUNDS FOR THE TREATMENT OF INFLAMMATION | PHARMACIA & UPJOHN COMPANY LLC (US) | 2005-11-10 | — | — | WO | disclosed |