Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A3 | P47895 | 9/20 | 0.67 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.67 |
| ▸ | ALDH1A2 | O94788 | 1/20 | 0.67 |
| ▸ | NPC1 | O15118 | 7/20 | 0.61 |
| ▸ | RAB9A | P51151 | 7/20 | 0.61 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.61 |
| ▸ | APP | P05067 | 3/20 | 0.61 |
| ▸ | POLB | P06746 | 2/20 | 0.61 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.61 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.60 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.55 |
| ▸ | TP53 | P04637 | 1/20 | 0.55 |
| ▸ | PKM | P14618 | 1/20 | 0.55 |
| ▸ | HPGD | P15428 | 1/20 | 0.55 |
| ▸ | TSHR | P16473 | 1/20 | 0.55 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.55 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.55 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.55 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL973129 | 0.89 | ALDH1A3 (0.84) | ALDH1A3ALDH1A1ALDH1A2NPC1RAB9A | |
| SCHEMBL971185 | 0.85 | ALDH1A3 (0.77) | ALDH1A3ALDH1A1ALDH1A2NPC1RAB9A | |
| SCHEMBL972253 | 0.85 | NPC1 (0.57) | ALDH1A3ALDH1A1ALDH1A2NPC1RAB9A | |
| SCHEMBL5302309 | 0.84 | ALDH1A3 (0.75) | ALDH1A3ALDH1A1ALDH1A2NPC1RAB9A | |
| SCHEMBL970456 | 0.84 | ALDH1A3 (0.69) | ALDH1A3ALDH1A1ALDH1A2NPC1RAB9A | |
| SCHEMBL7605200 | 0.81 | NPC1 (0.77) | ALDH1A3ALDH1A1ALDH1A2NPC1RAB9A | |
| SCHEMBL13325768 | 0.81 | ALDH1A3 (1.00) | ALDH1A3ALDH1A1ALDH1A2NPC1RAB9A | |
| SCHEMBL972214 | 0.81 | NPC1 (0.56) | ALDH1A3ALDH1A1ALDH1A2NPC1RAB9A | |
| Bromide SCHEMBL1691457 | 0.79 | NPC1 (0.75) | ALDH1A3ALDH1A1ALDH1A2NPC1RAB9A | |
| SCHEMBL974462 | 0.78 | ALDH1A1 (0.63) | ALDH1A3ALDH1A1ALDH1A2NPC1RAB9A |
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 |