Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A3 | P47895 | 15/20 | 0.63 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.63 |
| ▸ | ALDH1A2 | O94788 | 1/20 | 0.63 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.58 |
| ▸ | NPC1 | O15118 | 2/20 | 0.47 |
| ▸ | RAB9A | P51151 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | PKM | P14618 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL785129 | 0.97 | ALDH1A3 (0.67) | ALDH1A3ALDH1A1ALDH1A2SLC2A1NPC1 | |
| SCHEMBL13454312 | 0.96 | ALDH1A3 (0.65) | ALDH1A3ALDH1A1ALDH1A2SLC2A1NPC1 | |
| SCHEMBL18288730 | 0.95 | ALDH1A3 (0.67) | ALDH1A3ALDH1A1ALDH1A2SLC2A1NPC1 | |
| SCHEMBL18288722 | 0.95 | ALDH1A3 (0.67) | ALDH1A3ALDH1A1ALDH1A2SLC2A1NPC1 | |
| SCHEMBL785387 | 0.92 | ALDH1A3 (0.57) | ALDH1A3ALDH1A1ALDH1A2SLC2A1NPC1 | |
| SCHEMBL972538 | 0.92 | ALDH1A3 (0.61) | ALDH1A3ALDH1A1ALDH1A2SLC2A1NPC1 | |
| SCHEMBL13454296 | 0.91 | ALDH1A3 (0.68) | ALDH1A3ALDH1A1ALDH1A2SLC2A1NPC1 | |
| SCHEMBL974085 | 0.89 | ALDH1A3 (0.55) | ALDH1A3ALDH1A1ALDH1A2SLC2A1NPC1 | |
| SCHEMBL13454269 | 0.88 | ALDH1A3 (0.81) | ALDH1A3ALDH1A1ALDH1A2SLC2A1NPC1 | |
| SCHEMBL13454287 | 0.88 | ALDH1A3 (0.81) | ALDH1A3ALDH1A1ALDH1A2SLC2A1NPC1 |
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-7867629-B2 | Nitrogenous heterocyclic derivative and organic electroluminescent element employing the same | IDEMITSU KOSAN CO., LTD. (JP) | 2011-01-11 | — | — | US | disclosed |