Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RX7 | Q99572 | 9/20 | 0.54 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.45 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.45 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.45 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.45 |
| ▸ | ERCC1 | P07992 | 3/20 | 0.45 |
| ▸ | ERCC4 | Q92889 | 3/20 | 0.45 |
| ▸ | ANO1 | Q5XXA6 | 1/20 | 0.44 |
| ▸ | ANO2 | Q9NQ90 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL12366130 | 0.85 | NPC1 (0.56) | P2RX7ALDH1A1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL12366171 | 0.85 | ALDH1A1 (0.58) | P2RX7ERCC1ERCC4ALDH1A1NPC1 | |
| SCHEMBL23565221 | 0.82 | P2RX7 (0.59) | P2RX7HDAC3HDAC1HDAC2HDAC6 | |
| SCHEMBL3130070 | 0.80 | P2RX7 (0.56) | P2RX7HDAC3HDAC1HDAC2HDAC6 | |
| SCHEMBL12366090 | 0.79 | ALDH1A1 (0.57) | P2RX7ALDH1A1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL9926539 | 0.79 | SETDB1 (0.57) | P2RX7HDAC3HDAC1HDAC2HDAC6 | |
| SCHEMBL2266083 | 0.77 | P2RX7 (0.54) | P2RX7HDAC3HDAC1HDAC2HDAC6 | |
| SCHEMBL12366175 | 0.77 | NPC1 (0.56) | P2RX7ALDH1A1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL12366142 | 0.75 | KMT2A (0.59) | ERCC1ERCC4ALDH1A1TDP1NPC1 | |
| SCHEMBL15682778 | 0.75 | HDAC1 (0.54) | P2RX7HDAC3HDAC1HDAC2HDAC6 |
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-7998986-B2 | Heterocyclic compounds, in particular N-substituted pyridones for modulating the activity of nuclear receptors | EXELIXIS PATENT COMPANY LLC (US) | 2011-08-16 | — | — | US | disclosed |