Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MGMT | P16455 | 6/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.47 |
| ▸ | MPO | P05164 | 1/20 | 0.47 |
| ▸ | TPO | P07202 | 1/20 | 0.47 |
| ▸ | EPX | P11678 | 1/20 | 0.47 |
| ▸ | DAPK1 | P53355 | 1/20 | 0.47 |
| ▸ | CDK1 | P06493 | 2/20 | 0.46 |
| ▸ | CCNB1 | P14635 | 2/20 | 0.46 |
| ▸ | CCNA2 | P20248 | 2/20 | 0.46 |
| ▸ | CDK2 | P24941 | 2/20 | 0.46 |
| ▸ | CCNA1 | P78396 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.44 |
| ▸ | PHLPP2 | Q6ZVD8 | 1/20 | 0.44 |
| ▸ | GALR3 | O60755 | 1/20 | 0.44 |
| ▸ | NR2F2 | P24468 | 1/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL2153643 | 0.92 | MGMT (0.54) | MGMTCYP3A4MPOTPOEPX | |
| SCHEMBL3301303 | 0.86 | MGMT (0.49) | MGMTCYP3A4MPOTPOEPX | |
| SCHEMBL4869642 | 0.83 | MGMT (0.62) | MGMTCYP3A4MPOTPOEPX | |
| SCHEMBL3300204 | 0.81 | MGMT (0.49) | MGMTCYP3A4MPOTPOEPX | |
| SCHEMBL25500746 | 0.81 | MGMT (0.55) | MGMTCYP3A4MPOTPOEPX | |
| SCHEMBL8896045 | 0.80 | MGMT (0.52) | MGMTCYP3A4MPOTPOEPX | |
| SCHEMBL11255779 | 0.80 | MGMT (0.56) | MGMTCYP3A4MPOTPOEPX | |
| SCHEMBL14963617 | 0.79 | MGMT (0.51) | MGMTCYP3A4MPOTPOEPX | |
| SCHEMBL5930450 | 0.79 | MGMT (0.58) | MGMTCYP3A4MPOTPOEPX | |
| SCHEMBL8898448 | 0.79 | MGMT (0.51) | MGMTCYP3A4MPOTPOEPX |
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-5691307-A | ANTITUMOR AGENTS | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 1997-11-25 | — | — | US | disclosed |