Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.69 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.69 |
| ▸ | NPC1 | O15118 | 3/20 | 0.68 |
| ▸ | RAB9A | P51151 | 3/20 | 0.68 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.57 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.51 |
| ▸ | TP53 | P04637 | 1/20 | 0.51 |
| ▸ | GLA | P06280 | 1/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | HPGD | P15428 | 1/20 | 0.51 |
| ▸ | TSHR | P16473 | 1/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.51 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.51 |
| ▸ | LMNA | P02545 | 2/20 | 0.49 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.49 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL9100162 | 0.91 | ESR1 (0.57) | ESR1ESR2NPC1RAB9AL3MBTL1 | |
| SCHEMBL4459400 | 0.88 | ESR1 (0.86) | ESR1ESR2NPC1RAB9AL3MBTL1 | |
| SCHEMBL9100477 | 0.88 | TDP1 (0.57) | ESR1ESR2NPC1RAB9AL3MBTL1 | |
| Phenethyl Benzoate SCHEMBL4351681 | 0.85 | ESR1 (0.80) | ESR1ESR2NPC1RAB9AL3MBTL1 | |
| Phenethyl Benzoate SCHEMBL168823 | 0.85 | ESR1 (0.80) | ESR1ESR2NPC1RAB9AL3MBTL1 | |
| SCHEMBL704543 | 0.84 | KMT2A (0.71) | ESR1ESR2NPC1RAB9AL3MBTL1 | |
| SCHEMBL1129589 | 0.82 | ESR1 (1.00) | ESR1ESR2NPC1RAB9AL3MBTL1 | |
| SCHEMBL453470 | 0.81 | NPC1 (1.00) | ESR1ESR2NPC1RAB9AL3MBTL1 | |
| SCHEMBL8108520 | 0.81 | ESR1 (0.73) | ESR1ESR2NPC1RAB9AL3MBTL1 | |
| SCHEMBL3821543 | 0.81 | ESR1 (0.73) | ESR1ESR2NPC1RAB9AL3MBTL1 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0323441-B1 | 5-Fluorouracil derivatives | OTSUKA PHARMA CO LTD (JP) | 1996-04-24 | — | — | EP | disclosed |
| EP-0436902-B1 | 5-Fluorouracil derivatives | OTSUKA PHARMA CO LTD (JP) | 1995-06-28 | — | — | EP | disclosed |
| 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 |
| EP-0180897-B1 | 5-FLUOROURACIL DERIVATIVES | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1991-08-07 | — | — | EP | disclosed |
| EP-0436902-A1 | 5-Fluorouracil derivatives | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1991-07-17 | — | — | EP | disclosed |
| US-4983609-A | Anticancer agents | OTSUKA PHARMACEUTICAL (JP) | 1991-01-08 | — | — | US | disclosed |
| US-4864021-A | ANTICARCINOGENIC AGENTS, ANTITUMOR AGENTS | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1989-09-05 | — | — | US | disclosed |
| EP-0180897-A2 | 5-Fluorouracil derivatives | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1986-05-14 | — | — | EP | disclosed |