Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB1 | P08183 | 1/20 | 0.40 |
| ▸ | NPY5R | Q15761 | 2/20 | 0.38 |
| ▸ | CYP19A1 | P11511 | 4/20 | 0.37 |
| ▸ | MAOB | P27338 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | MMP13 | P45452 | 1/20 | 0.33 |
| ▸ | ACACB | O00763 | 4/20 | 0.31 |
| ▸ | MGLL | Q99685 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL3365234 | 1.00 | ABCB1 (0.40) | ABCB1NPY5RCYP19A1MAOBCYP3A4 | |
| SCHEMBL3369606 | 0.74 | NPY5R (0.42) | NPY5RCYP19A1MAOBCYP3A4ALDH1A1 | |
| SCHEMBL3365232 | 0.71 | CYP19A1 (0.34) | ABCB1CYP19A1MAOBCYP3A4CYP1A2 | |
| SCHEMBL10127404 | 0.71 | MMP13 (0.51) | CYP19A1MAOBCYP3A4CYP1A2CYP2C9 | |
| SCHEMBL8467776 | 0.70 | ABCB1 (0.49) | ABCB1NPY5RCYP1A2ALDH1A1MAPT | |
| SCHEMBL8467774 | 0.70 | ABCB1 (0.49) | ABCB1NPY5RCYP1A2ALDH1A1MAPT | |
| SCHEMBL8468292 | 0.70 | ABCB1 (0.49) | ABCB1NPY5RCYP1A2ALDH1A1MAPT | |
| SCHEMBL10112038 | 0.67 | FNTA (0.44) | CYP19A1ALDH1A1MMP13POLB | |
| SCHEMBL3365229 | 0.65 | CDC7 (0.36) | CYP19A1CYP3A4CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL28755663 | 0.63 | CYP3A4 (0.52) | CYP19A1MAOBCYP3A4CYP1A2CYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| CN-101074242-A | Cells accumulation for sphosphonate analogs of HIV protease inhibitor compound and the same compound | GILEAD SCIENCES INC (US) | 2007-11-21 | — | — | CN | disclosed |
| CN-1313472-C | Cellular Accumulation of Phosphonate Analogs of HIV Protease Inhibitor Compounds and Such Compounds | GILEAD SCIENCES INC (US) | 2007-05-02 | — | — | CN | disclosed |
| CN-1649885-A | Cellular Accumulation of Phosphonate Analogs of HIV Protease Inhibitor Compounds and Such Compounds | GILEAD SCIENCES INC (US) | 2005-08-03 | — | — | CN | disclosed |