Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LTA4H | P09960 | 1/20 | 0.57 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.56 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.51 |
| ▸ | POLB | P06746 | 1/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.51 |
| ▸ | APAF1 | O14727 | 1/20 | 0.51 |
| ▸ | HK1 | P19367 | 1/20 | 0.51 |
| ▸ | RAB9A | P51151 | 1/20 | 0.51 |
| ▸ | HKDC1 | Q2TB90 | 1/20 | 0.51 |
| ▸ | MEN1 | O00255 | 2/20 | 0.50 |
| ▸ | MAPT | P10636 | 2/20 | 0.50 |
| ▸ | RECQL | P46063 | 1/20 | 0.50 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.49 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.49 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.49 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.49 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL15690334 | 0.85 | KMT2A (0.61) | LTA4HCYP1A2CYP2D6ALDH1A1HSD17B10 | |
| SCHEMBL2556802 | 0.77 | MEN1 (0.70) | CYP1A2ALDH1A1HSD17B10KMT2APOLB | |
| SCHEMBL5605047 | 0.74 | LTA4H (0.82) | LTA4HCYP1A2CYP2D6ALDH1A1HSD17B10 | |
| SCHEMBL2120263 | 0.74 | LTA4H (0.65) | LTA4HCYP1A2CYP2D6ALDH1A1HSD17B10 | |
| SCHEMBL5361875 | 0.73 | CYP1A2 (0.75) | LTA4HCYP1A2CYP2D6ALDH1A1MAPT | |
| SCHEMBL2861457 | 0.73 | CYP1A2 (1.00) | LTA4HCYP1A2CYP2D6ALDH1A1POLB | |
| SCHEMBL30642394 | 0.73 | LTA4H (1.00) | LTA4HCYP1A2CYP2D6ALDH1A1KMT2A | |
| SCHEMBL523753 | 0.73 | LTA4H (1.00) | LTA4HCYP1A2CYP2D6ALDH1A1KMT2A | |
| SCHEMBL11638075 | 0.71 | LTA4H (0.61) | LTA4HCYP1A2CYP2D6ALDH1A1HSD17B10 | |
| Hydrochloric Acid SCHEMBL6121350 | 0.71 | CYP1A2 (0.95) | LTA4HCYP1A2CYP2D6ALDH1A1POLB |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2011126544-A2 | THYMOQUINONE ANALOGS FOR THE TREATMENT OF PANCREATIC CANCER | WAYNE STATE UNIVERSITY (US) | 2011-10-13 | — | — | WO | claimed |
| WO-2011126544-A2 | THYMOQUINONE ANALOGS FOR THE TREATMENT OF PANCREATIC CANCER | WAYNE STATE UNIVERSITY (US) | 2011-10-13 | — | — | WO | disclosed |