Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.59 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | CDC7 | O00311 | 2/20 | 0.41 |
| ▸ | DBF4 | Q9UBU7 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | PLOD2 | O00469 | 1/20 | 0.41 |
| ▸ | PLOD3 | O60568 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | PLOD1 | Q02809 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| Niacin SCHEMBL27368022 | 0.81 | ALDH1A1 (0.64) | KMT2ACYP2C9CYP2C19L3MBTL1ALDH1A1 | |
| Pyridine SCHEMBL2679466 | 0.80 | ALDH1A1 (0.39) | NAPRTKMT2ACYP2C9CYP2C19NPSR1 | |
| SCHEMBL28243601 | 0.79 | RXRA (0.49) | KMT2ANPSR1L3MBTL1ALDH1A1KDM4E | |
| SCHEMBL27726304 | 0.79 | HCAR2 (0.59) | NAPRTKMT2ACYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL28242784 | 0.79 | BCL2L1 (0.53) | KMT2ACYP2C9CYP2C19NPSR1ALDH1A1 | |
| Isonicotinic Acid SCHEMBL1108 | 0.77 | — | — | |
| Isonicotinic Acid SCHEMBL1414914 | 0.77 | NAPRT (1.00) | NAPRTKMT2ACYP2C9CYP2C19ALDH1A1 | |
| Ethyl Isonicotinate SCHEMBL24935 | 0.76 | CA12 (0.62) | KMT2ACYP2C9CYP2C19NPSR1L3MBTL1 | |
| Isonicotinic Acid SCHEMBL28225774 | 0.76 | NAPRT (0.71) | NAPRTKMT2ACYP2C9CYP2C19ALDH1A1 | |
| Isonicotinic Acid SCHEMBL6877555 | 0.75 | NAPRT (0.85) | NAPRTKMT2ACYP2C9CYP2C19ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-105209464-A | P2x7 modulators | JANSSEN PHARMACEUTICA NV | 2015-12-30 | — | — | CN | disclosed |