Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR2 | P34972 | 1/20 | 0.46 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.44 |
| ▸ | CCR2 | P41597 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | PARP1 | P09874 | 1/20 | 0.39 |
| ▸ | FEN1 | P39748 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.37 |
| ▸ | PTGER2 | P43116 | 1/20 | 0.37 |
| ▸ | ACHE | P22303 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | USP2 | O75604 | 2/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.37 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL10548634 | 0.88 | CCR2 (0.56) | CCR2CYP3A4LMNAFEN1ALDH1A1 | |
| SCHEMBL10546416 | 0.80 | CCR2 (0.40) | CCR2SMN1; SMN2TSHRMAPK1 | |
| SCHEMBL715536 | 0.71 | CYP3A4 (0.56) | CNR2CYP3A4LMNAPARP1ALDH1A1 | |
| SCHEMBL10546918 | 0.71 | CCR2 (0.37) | ABCB11CCR2CYP3A4LMNAALDH1A1 | |
| SCHEMBL15654050 | 0.71 | PKM (0.49) | ABCB11CCR2FEN1ALDH1A1SMN1; SMN2 | |
| SCHEMBL10648303 | 0.70 | MEN1 (0.40) | CNR2LMNAPARP1ALDH1A1SMN1; SMN2 | |
| SCHEMBL2913612 | 0.69 | CYP3A4 (0.58) | CNR2CYP3A4LMNAPARP1ALDH1A1 | |
| SCHEMBL6668922 | 0.69 | CYP3A4 (0.62) | CNR2CYP3A4LMNAPARP1ALDH1A1 | |
| SCHEMBL9685664 | 0.68 | HRH2 (0.57) | ALDH1A1CYP2C9MEN1CYP2D6KMT2A | |
| SCHEMBL3877144 | 0.68 | CYP3A4 (0.56) | CYP3A4LMNAPARP1ALDH1A1ACHE |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4859779-A | ENZYME INHIBITORS | SMITHKLINE BECKMAN CORPORATION (US) | 1989-08-22 | — | — | US | disclosed |
| US-4837353-A | 2-/N-PHENYLALKYL-N-FORMYL/AMINO-3-HYDROXY-2-PROPENOIC ACID DERIVATIVES | SMITHKLINE BECKMAN CORPORATION (US) | 1989-06-06 | — | — | US | disclosed |
| EP-0284375-A1 | Dopamine-beta-hydroxylase inhibitors | SMITHKLINE BEECHAM CORPORATION (US) | 1988-09-28 | — | — | EP | disclosed |
| US-4762850-A | Dopamine-beta-hydroxylase inhibitors | SMITHKLINE BECKMAN CORPORATION (US) | 1988-08-09 | — | — | US | disclosed |