Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | XDH | P47989 | 1/20 | 0.39 |
| ▸ | PARP1 | P09874 | 3/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 7/20 | 0.35 |
| ▸ | HDAC6 | Q9UBN7 | 4/20 | 0.35 |
| ▸ | HDAC9 | Q9UKV0 | 2/20 | 0.35 |
| ▸ | HDAC2 | Q92769 | 6/20 | 0.35 |
| ▸ | HDAC3 | O15379 | 4/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | PAOX | Q6QHF9 | 1/20 | 0.35 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | ABL1 | P00519 | 2/20 | 0.34 |
| ▸ | RIN1 | Q13671 | 2/20 | 0.34 |
| ▸ | SPHK2 | Q9NRA0 | 1/20 | 0.34 |
| ▸ | SPHK1 | Q9NYA1 | 1/20 | 0.34 |
| ▸ | NSD2 | O96028 | 1/20 | 0.34 |
| ▸ | RORC | P51449 | 1/20 | 0.34 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.34 |
| ▸ | HDAC4 | P56524 | 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 | |
|---|---|---|---|---|
| SCHEMBL18325610 | 0.89 | XDH (0.50) | XDHLMNAPOLBSPHK2SPHK1 | |
| SCHEMBL7905802 | 0.87 | HDAC1 (0.49) | HDAC1HDAC6HDAC9HDAC2HDAC3 | |
| SCHEMBL1225985 | 0.77 | GDA (0.36) | LMNAABL1 | |
| SCHEMBL11926260 | 0.75 | LMNA (0.30) | LMNA | |
| SCHEMBL7063733 | 0.70 | ALDH1A1 (0.43) | CYP3A4POLBKMT2A | |
| SCHEMBL31260667 | 0.70 | ALDH1A1 (0.45) | POLBKMT2A | |
| SCHEMBL7063685 | 0.69 | LMNA (0.51) | XDHLMNA | |
| SCHEMBL7064550 | 0.69 | LMNA (0.47) | XDHLMNAKMT2A | |
| SCHEMBL18325718 | 0.68 | MAT2A (0.37) | XDHLMNA | |
| SCHEMBL12104083 | 0.68 | HDAC1 (0.43) | HDAC1HDAC6HDAC9HDAC2HDAC3 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2016203337-A2 | COMPOSITIONS AND METHODS FOR THE TREATMENT OF CANCER | MOHAN M ALAPATI (IN) | 2016-12-22 | — | — | WO | disclosed |
| WO-2016203352-A2 | COMPOSITIONS AND METHODS FOR THE TREATMENT OF CANCER | MOHAN M ALAPATI (IN) | 2016-12-22 | — | — | WO | disclosed |