Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.35 |
| ▸ | MCOLN3 | Q8TDD5 | 1/20 | 0.35 |
| ▸ | ADAM17 | P78536 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | MMP1 | P03956 | 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 | |
|---|---|---|---|---|
| SCHEMBL10845796 | 0.86 | CYP2D6 (0.47) | CYP2D6ALDH1A1KMT2ALMNACYP1A2 | |
| SCHEMBL4595283 | 0.81 | CYP2D6 (0.47) | CYP2D6ALDH1A1KMT2ALMNACYP1A2 | |
| SCHEMBL9686466 | 0.81 | CYP2D6 (0.47) | CYP2D6ALDH1A1KMT2ALMNACYP1A2 | |
| SCHEMBL1569030 | 0.80 | CYP2D6 (0.46) | CYP2D6ALDH1A1KMT2ALMNACYP1A2 | |
| SCHEMBL1569029 | 0.80 | CYP2D6 (0.46) | CYP2D6ALDH1A1KMT2ALMNACYP1A2 | |
| SCHEMBL9214135 | 0.80 | CYP2D6 (0.46) | CYP2D6ALDH1A1KMT2ALMNACYP1A2 | |
| SCHEMBL2227004 | 0.74 | MCOLN3 (0.42) | ALDH1A1KMT2ALMNAPOLBL3MBTL1 | |
| SCHEMBL21553766 | 0.74 | MCOLN3 (0.42) | ALDH1A1KMT2ALMNAPOLBL3MBTL1 | |
| SCHEMBL9871468 | 0.72 | POLB (0.52) | CYP2D6ALDH1A1KMT2ALMNACYP1A2 | |
| SCHEMBL10907052 | 0.72 | POLB (0.52) | CYP2D6ALDH1A1KMT2ALMNACYP1A2 |
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-4620013-A | Chiral phosphines | HOFFMANN-LA ROCHE INC. (US) | 1986-10-28 | — | — | US | disclosed |
| US-4539411-A | Rhodium complexes of chiral phosphines | HOFFMANN-LA ROCHE INC. (US) | 1985-09-03 | — | — | US | disclosed |