Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.44 |
| ▸ | HPGD | P15428 | 3/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | TSPO | P30536 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 2/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | USP2 | O75604 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | FSCN1 | Q16658 | 1/20 | 0.35 |
| ▸ | CASP1 | P29466 | 1/20 | 0.34 |
| ▸ | CASP7 | P55210 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 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 | |
|---|---|---|---|---|
| SCHEMBL11362729 | 0.90 | HPGD (0.51) | CYP3A4HPGDALDH1A1L3MBTL1ATM | |
| SCHEMBL31643755 | 0.81 | HPGD (0.63) | CYP3A4HPGDHTTL3MBTL1ATM | |
| SCHEMBL11366684 | 0.80 | CYP3A4 (0.40) | CYP3A4HPGDALDH1A1ATMCA1 | |
| SCHEMBL11359124 | 0.78 | HPGD (0.44) | CYP3A4HPGDALDH1A1HTTL3MBTL1 | |
| SCHEMBL11367480 | 0.72 | KDM4E (0.41) | CYP3A4HPGDALDH1A1L3MBTL1CA1 | |
| SCHEMBL27393718 | 0.69 | CYP2C9 (0.44) | CYP3A4HPGDALDH1A1HTTTSPO | |
| SCHEMBL11358211 | 0.69 | CA1 (0.44) | HPGDALDH1A1L3MBTL1ATMCA1 | |
| SCHEMBL18612985 | 0.69 | ALDH1A1 (0.49) | CYP3A4ALDH1A1HTTPOLBSMN1; SMN2 | |
| SCHEMBL23777000 | 0.67 | CYP3A4 (0.61) | CYP3A4HPGDALDH1A1L3MBTL1CA1 | |
| SCHEMBL11366679 | 0.67 | CA12 (0.46) | ALDH1A1L3MBTL1ATMCA1CA2 |
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 |
|---|---|---|---|---|---|---|---|
| US-4251454-A | MADE FROM ANILINOMETHYLENE CHLORO-AMINO-HYDROCINNAMONITRILE | HOFFMANN-LA ROCHE INC. (US) | 1981-02-17 | — | — | US | disclosed |
| US-4039543-A | SUBSTITUTED BY AMINE, N-RING, AMIDE, CARBAMATE, UREA | HOFFMANN-LA ROCHE INC. (US) | 1977-08-02 | — | — | US | disclosed |