Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.41 |
| ▸ | LMNA | P02545 | 4/20 | 0.41 |
| ▸ | CCR1 | P32246 | 3/20 | 0.41 |
| ▸ | CCR5 | P51681 | 3/20 | 0.41 |
| ▸ | CCR8 | P51685 | 3/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | METAP1 | P53582 | 1/20 | 0.41 |
| ▸ | BLM | P54132 | 1/20 | 0.41 |
| ▸ | DOHH | Q9BU89 | 1/20 | 0.41 |
| ▸ | P4HTM | Q9NXG6 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.38 |
| ▸ | TP53 | P04637 | 4/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.38 |
| ▸ | HTT | P42858 | 3/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL18868634 | 0.83 | ALDH1A1 (0.39) | ALDH1A1KDM4ELMNACCR1CCR5 | |
| SCHEMBL21440403 | 0.77 | ALOX12 (0.39) | ALDH1A1KDM4ELMNAHIF1APOLB | |
| SCHEMBL19466036 | 0.71 | LMNA (0.56) | ALDH1A1KDM4ELMNACCR1CCR5 | |
| SCHEMBL20685156 | 0.71 | ALDH1A1 (0.33) | ALDH1A1KDM4ELMNACCR1CCR5 | |
| SCHEMBL22326657 | 0.71 | MMP2 (0.47) | ALDH1A1KDM4ELMNAHIF1AMETAP1 | |
| SCHEMBL21846145 | 0.71 | KDM4E (0.30) | KDM4ELMNACCR1CCR5CCR8 | |
| SCHEMBL22650229 | 0.67 | MAOA (0.38) | ALDH1A1KDM4ELMNACYP1A2POLB | |
| SCHEMBL18430843 | 0.65 | CYP2A6 (0.38) | CYP2A6 | |
| SCHEMBL13888459 | 0.65 | — | — | |
| Ethylene SCHEMBL6429438 | 0.63 | — | — |
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-9780310-B2 | Heterocyclic compound for organic electroluminescent device and its application | TOSOH CORPORATION (JP) | 2017-10-03 | — | — | US | disclosed |