Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.49 |
| ▸ | HPGD | P15428 | 7/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.49 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.49 |
| ▸ | LMNA | P02545 | 2/20 | 0.49 |
| ▸ | HTT | P42858 | 2/20 | 0.49 |
| ▸ | NPC1 | O15118 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.42 |
| ▸ | MAPT | P10636 | 3/20 | 0.42 |
| ▸ | MEN1 | O00255 | 3/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | HMGB1 | P09429 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL14566387 | 0.79 | NPC1 (0.50) | ALDH1A1HPGDALOX15HTTNPC1 | |
| SCHEMBL3978477 | 0.77 | KDM4E (0.57) | ALDH1A1HPGDKDM4EALOX15LMNA | |
| SCHEMBL19189753 | 0.75 | KDM4E (0.50) | ALDH1A1HPGDKDM4ELMNAHTT | |
| SCHEMBL3199116 | 0.74 | BCHE (0.40) | ALDH1A1HPGDLMNAKMT2AMEN1 | |
| SCHEMBL2719114 | 0.74 | POLB (0.45) | HPGDLMNAHTTNPC1RAB9A | |
| SCHEMBL21226653 | 0.73 | ALDH1A1 (0.47) | ALDH1A1HPGDKDM4EALOX15LMNA | |
| SCHEMBL21771875 | 0.72 | ESR1 (0.54) | ALDH1A1HPGDKDM4ELMNAHTT | |
| SCHEMBL3189696 | 0.71 | IDO1 (0.31) | HPGDKMT2AMEN1 | |
| SCHEMBL5311369 | 0.70 | KDM4E (0.62) | ALDH1A1HPGDKDM4ELMNAHTT | |
| SCHEMBL3198892 | 0.70 | CYP2C19 (0.32) | ALDH1A1HPGDKDM4EALOX15LMNA |
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 |
|---|---|---|---|---|---|---|---|
| EP-2763997-B1 | CYCLOHEXYL-4H,6H-5-OXA-2,3,10B-TRIAZA-BENZO[E]AZULENES AS V1A ANTAGONISTS | HOFFMANN LA ROCHE (CH) | 2017-08-02 | — | — | EP | disclosed |