Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CA | P42336 | 3/20 | 0.43 |
| ▸ | MTOR | P42345 | 1/20 | 0.43 |
| ▸ | KMO | O15229 | 1/20 | 0.42 |
| ▸ | ATR | Q13535 | 1/20 | 0.42 |
| ▸ | ATRIP | Q8WXE1 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | CNR2 | P34972 | 3/20 | 0.40 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.39 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 3/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL9013757 | 0.86 | ALDH1A1 (0.43) | PIK3CAKMOALDH1A1CYP2C19CYP1A2 | |
| SCHEMBL28949302 | 0.82 | CNR2 (0.49) | PIK3CAMTORKMOATRATRIP | |
| SCHEMBL30358224 | 0.82 | CNR2 (0.49) | PIK3CAMTORKMOATRATRIP | |
| SCHEMBL1460126 | 0.76 | ALDH1A1 (0.58) | ALDH1A1CYP2C19CYP1A2MAPTCYP2C9 | |
| SCHEMBL246534 | 0.76 | ALDH1A1 (0.44) | PIK3CAMTORKMOALDH1A1CYP2C19 | |
| SCHEMBL31195982 | 0.76 | CNR2 (0.46) | PIK3CAKMOALDH1A1CYP2C19CYP1A2 | |
| SCHEMBL17310188 | 0.73 | CYP2C19 (0.54) | PIK3CAMTORATRATRIPALDH1A1 | |
| SCHEMBL21768414 | 0.73 | HTT (0.50) | PIK3CAKMOATRATRIPALDH1A1 | |
| SCHEMBL17310185 | 0.73 | CYP2C19 (0.54) | PIK3CAMTORATRATRIPALDH1A1 | |
| SCHEMBL28840643 | 0.72 | KDM4E (0.54) | ALDH1A1MAPTTSHRKDM4EMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5536745-A | (Hetero)-aryl ketones derivatives with antibacterial properties | SMITHKLINE BEECHAM P.L.C. (GB) | 1996-07-16 | — | — | US | disclosed |