Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.41 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.41 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.41 |
| ▸ | LTA4H | P09960 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 3/20 | 0.38 |
| ▸ | ERN1 | O75460 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.37 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.37 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.37 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | ABL1 | P00519 | 1/20 | 0.36 |
| ▸ | BCR | P11274 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL30898337 | 0.73 | CYP3A4 (0.39) | CYP3A4CYP2C9CYP2E1CYP2A6CYP2B6 | |
| SCHEMBL1127048 | 0.71 | AKR1B1 (0.47) | HDAC2HPGDEGLN1KDM4EALDH1A1 | |
| SCHEMBL1464252 | 0.70 | — | — | |
| SCHEMBL338810 | 0.70 | LTA4H (0.70) | CYP3A4CYP2C9CYP2E1CYP2A6CYP2B6 | |
| SCHEMBL4338418 | 0.68 | KCNH2 (0.58) | CYP3A4CYP2C9CYP2E1CYP2A6CYP2B6 | |
| SCHEMBL7455134 | 0.68 | LTA4H (0.67) | CYP3A4CYP2C9CYP2E1CYP2A6CYP2B6 | |
| SCHEMBL27709556 | 0.68 | CYP3A4 (0.60) | CYP3A4CYP2C9CYP2E1CYP2A6CYP2B6 | |
| SCHEMBL658514 | 0.67 | CYP2E1 (0.54) | CYP3A4CYP2C9CYP2E1CYP2A6CYP2B6 | |
| SCHEMBL3545 | 0.67 | L3MBTL1 (0.57) | CYP3A4CYP2C9CYP2E1CYP2A6CYP2B6 | |
| SCHEMBL16291133 | 0.67 | L3MBTL1 (0.57) | CYP3A4CYP2C9CYP2E1CYP2A6CYP2B6 |
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-5356908-A | Agriculture | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1994-10-18 | — | — | US | disclosed |
| US-5223523-A | Agriculture | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1993-06-29 | — | — | US | disclosed |