Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 4/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | HPRT1 | P00492 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 5/20 | 0.40 |
| ▸ | NCEH1 | Q6PIU2 | 1/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.37 |
| ▸ | NPC1 | O15118 | 3/20 | 0.37 |
| ▸ | RAB9A | P51151 | 3/20 | 0.37 |
| ▸ | TP53 | P04637 | 2/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 2/20 | 0.37 |
| ▸ | CA2 | P00918 | 2/20 | 0.37 |
| ▸ | ITGB2 | P05107 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL18245066 | 0.79 | CYP2A6 (0.54) | CYP2A6ALDH1A1HSD17B10TDP1TSHR | |
| SCHEMBL11556490 | 0.79 | CYP2A6 (0.54) | CYP2A6ALDH1A1HSD17B10TDP1TSHR | |
| SCHEMBL10427612 | 0.78 | ALDH1A1 (0.48) | CYP2A6ALDH1A1HSD17B10TDP1TSHR | |
| SCHEMBL3441131 | 0.77 | ALDH1A1 (0.46) | CYP2A6ALDH1A1HSD17B10TDP1TSHR | |
| SCHEMBL2231383 | 0.75 | PTPN22 (0.54) | CYP2A6ALDH1A1HSD17B10TDP1TSHR | |
| SCHEMBL9669197 | 0.75 | TSHR (0.54) | CYP2A6ALDH1A1HSD17B10TDP1TSHR | |
| SCHEMBL8183400 | 0.75 | POLB (0.50) | CYP2A6ALDH1A1HSD17B10TDP1TSHR | |
| SCHEMBL103338 | 0.74 | — | — | |
| SCHEMBL9004 | 0.73 | CA1 (0.52) | CYP2A6ALDH1A1HSD17B10TDP1TSHR | |
| SCHEMBL23854476 | 0.72 | ALDH1A1 (0.41) | CYP2A6ALDH1A1HSD17B10TDP1TSHR |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5155113-A | Administering 5-fluorouracil and derivatives with pyridine and pyridone derivatives | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1992-10-13 | — | — | US | disclosed |
| EP-0180188-B1 | A COMPOSITION FOR INCREASING THE ANTI-CANCER ACTIVITY OF AN ANTI-CANCER COMPOUND | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1992-04-15 | — | — | EP | disclosed |
| US-4983609-A | Anticancer agents | OTSUKA PHARMACEUTICAL (JP) | 1991-01-08 | — | — | US | disclosed |
| EP-0180188-A2 | A composition for increasing the anti-cancer activity of an anti-cancer compound | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1986-05-07 | — | — | EP | disclosed |