Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.39 |
| ▸ | NPC1 | O15118 | 3/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 9/20 | 0.38 |
| ▸ | MAPT | P10636 | 6/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.38 |
| ▸ | HTT | P42858 | 4/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.38 |
| ▸ | BLM | P54132 | 1/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL21708934 | 0.87 | ALOX15 (0.38) | ALOX15ALOX12SMN1; SMN2NPC1HPGD | |
| SCHEMBL21708914 | 0.83 | ALOX15 (0.38) | ALOX15ALOX12SMN1; SMN2NPC1HPGD | |
| SCHEMBL3275126 | 0.80 | ALOX15 (0.42) | ALOX15ALOX12SMN1; SMN2NPC1HPGD | |
| SCHEMBL11888457 | 0.79 | ALOX15 (0.41) | ALOX15ALOX12SMN1; SMN2NPC1HPGD | |
| SCHEMBL11887312 | 0.78 | ALOX12 (0.40) | ALOX15ALOX12SMN1; SMN2NPC1HPGD | |
| SCHEMBL21708850 | 0.78 | ALOX15 (0.42) | ALOX15ALOX12SMN1; SMN2NPC1HPGD | |
| SCHEMBL9425968 | 0.74 | HPGD (0.51) | HPGDMAPTHSD17B10 | |
| SCHEMBL12514954 | 0.74 | SMN1; SMN2 (0.50) | SMN1; SMN2NPC1RAB9ALMNAMAPT | |
| SCHEMBL14087845 | 0.73 | ALOX15 (0.39) | ALOX15ALOX12SMN1; SMN2NPC1HPGD | |
| SCHEMBL25020569 | 0.73 | ALOX15 (0.48) | ALOX15ALOX12SMN1; SMN2NPC1HPGD |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020032080-A1 | COMPOUND, SALT OF COMPOUND, NEUROMODULATION AGENT, METHOD FOR EVALUATING NEUROMODULATION AGENT, METHOD FOR PRODUCING COMPOUND, AND METHOD FOR PRODUCING SALT OF COMPOUND | 学校法人慶應義塾 | 2020-02-13 | — | — | WO | disclosed |