Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 5/20 | 0.55 |
| ▸ | TSHR | P16473 | 3/20 | 0.55 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.55 |
| ▸ | ATM | Q13315 | 1/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.49 |
| ▸ | CA2 | P00918 | 4/20 | 0.49 |
| ▸ | RECQL | P46063 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 3/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.43 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.43 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | MMP9 | P14780 | 1/20 | 0.39 |
| ▸ | MMP8 | P22894 | 1/20 | 0.39 |
| ▸ | MMP14 | P50281 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7630326 | 0.85 | CYP3A4 (0.60) | CYP3A4TSHRTDP1ATMALDH1A1 | |
| SCHEMBL6228830 | 0.84 | CYP3A4 (0.58) | CYP3A4TSHRTDP1ATMALDH1A1 | |
| SCHEMBL7945598 | 0.83 | CYP3A4 (0.62) | CYP3A4TSHRTDP1ATMALDH1A1 | |
| SCHEMBL3847081 | 0.83 | CYP3A4 (0.62) | CYP3A4TSHRTDP1ATMALDH1A1 | |
| SCHEMBL17951819 | 0.82 | CYP3A4 (0.60) | CYP3A4TSHRTDP1ATMALDH1A1 | |
| SCHEMBL15084163 | 0.81 | CYP3A4 (0.58) | CYP3A4TSHRTDP1ATMALDH1A1 | |
| SCHEMBL31042737 | 0.81 | CYP3A4 (0.58) | CYP3A4TSHRTDP1ATMALDH1A1 | |
| SCHEMBL107012 | 0.81 | CYP3A4 (0.58) | CYP3A4TSHRTDP1ATMALDH1A1 | |
| SCHEMBL29687785 | 0.79 | CYP3A4 (0.53) | CYP3A4TSHRTDP1ATMALDH1A1 | |
| SCHEMBL1457427 | 0.79 | CYP3A4 (0.60) | CYP3A4TSHRTDP1ATMALDH1A1 |
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-5990245-A | POLYMETHACRYLATES HAVING A CHAIN TRANSFER MERCAPTOALKANOL ON ONE END AND A GLYCOL ESTER INTERCHANGED ON THE OTHER; ALSO USED TO MODIFY ALKYD AND EPOXY RESINS; ADDITION-CONDENSATION COPOLYMERS; BLOCK POLYMERS | TH. GOLDSCHMIDT AG (DE) | 1999-11-23 | — | — | US | disclosed |