Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.40 |
| ▸ | BRD4 | O60885 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 5/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | RECQL | P46063 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 6/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.35 |
| ▸ | NPC1 | O15118 | 5/20 | 0.35 |
| ▸ | TP53 | P04637 | 3/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | MMP2 | P08253 | 1/20 | 0.34 |
| ▸ | ANPEP | P15144 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL1577521 | 0.77 | ALDH1A1 (0.51) | ALDH1A1CYP1A2HIF1ABRD4TSHR | |
| SCHEMBL9730177 | 0.77 | ALDH1A1 (0.46) | ALDH1A1CYP1A2HIF1ABRD4TSHR | |
| SCHEMBL5084430 | 0.77 | SMN1; SMN2 (0.32) | ALDH1A1SMN1; SMN2POLBMAPK1KMT2A | |
| SCHEMBL11058710 | 0.74 | ALDH1A1 (0.41) | ALDH1A1CYP1A2HIF1ABRD4TSHR | |
| SCHEMBL6545071 | 0.73 | ALDH1A1 (0.51) | ALDH1A1CYP1A2HIF1ABRD4TSHR | |
| SCHEMBL11061933 | 0.73 | ALDH1A1 (0.47) | ALDH1A1CYP1A2HIF1ABRD4TSHR | |
| SCHEMBL11056056 | 0.73 | ALDH1A1 (0.47) | ALDH1A1CYP1A2HIF1ABRD4TSHR | |
| SCHEMBL9122696 | 0.72 | ALDH1A1 (0.46) | ALDH1A1CYP1A2HIF1ABRD4TSHR | |
| SCHEMBL29807013 | 0.72 | ALDH1A1 (0.46) | ALDH1A1CYP1A2HIF1ABRD4TSHR | |
| SCHEMBL28594691 | 0.72 | ALDH1A1 (0.42) | ALDH1A1CYP1A2HIF1ABRD4TSHR |
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 |
|---|---|---|---|---|---|---|---|
| EP-1912936-A2 | STEREOSELECTIVE SYNTHESIS OF 3,4-DISUBSTITUTED CYCLOPENTANONES AND RELATED COMPOUNDS | Pharmacia & Upjohn Company LLC (US) | 2008-04-23 | — | — | EP | disclosed |
| WO-2007010387-A2 | STEREOSELECTIVE SYNTHESIS OF 3,4-DISUBSTITUTED CYCLOPENTANONES AND RELATED COMPOUNDS | PHARMACIA & UPJOHN COMPANY LLC (US) | 2007-01-25 | — | — | WO | disclosed |