Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 6/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.41 |
| ▸ | TSHR | P16473 | 3/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.38 |
| ▸ | MMP9 | P14780 | 1/20 | 0.37 |
| ▸ | MMP8 | P22894 | 1/20 | 0.37 |
| ▸ | MMP14 | P50281 | 1/20 | 0.37 |
| ▸ | RECQL | P46063 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | USP2 | O75604 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL1626697 | 0.90 | CYP3A4 (0.44) | CYP3A4ALDH1A1TSHRTDP1ATM | |
| SCHEMBL14278859 | 0.86 | CYP3A4 (0.46) | CYP3A4ALDH1A1TSHRTDP1ATM | |
| SCHEMBL17816459 | 0.82 | CYP3A4 (0.43) | CYP3A4ALDH1A1TSHRTDP1ATM | |
| SCHEMBL14839899 | 0.81 | ALDH1A1 (0.52) | CYP3A4ALDH1A1TSHRTDP1ATM | |
| SCHEMBL101962 | 0.81 | CYP3A4 (0.56) | CYP3A4ALDH1A1TSHRTDP1ATM | |
| SCHEMBL9927986 | 0.79 | CYP3A4 (0.45) | CYP3A4ALDH1A1TSHRTDP1ATM | |
| SCHEMBL9927958 | 0.79 | CYP3A4 (0.45) | CYP3A4ALDH1A1TSHRTDP1ATM | |
| SCHEMBL9927966 | 0.79 | CYP3A4 (0.45) | CYP3A4ALDH1A1TSHRTDP1ATM | |
| SCHEMBL9927993 | 0.79 | CYP3A4 (0.45) | CYP3A4ALDH1A1TSHRTDP1ATM | |
| SCHEMBL99276 | 0.79 | ALDH1A1 (0.55) | CYP3A4ALDH1A1TSHRTDP1ATM |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20110093246-A1 | Modeling Systems for Consumer Goods | STANTON DAVID THOMAS | 2011-04-21 | — | — | US | disclosed |
| US-20080040082-A1 | Modeling systems for consumer goods | THE PROCTER & GAMBLE COMPANY | 2008-02-14 | — | — | US | disclosed |
| US-20080027575-A1 | Modeling systems for health and beauty consumer goods | PROCTER & GAMBLE COMPANY, THE | 2008-01-31 | — | — | US | disclosed |