Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 4/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.43 |
| ▸ | ALDH1A3 | P47895 | 3/20 | 0.43 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.43 |
| ▸ | TYR | P14679 | 1/20 | 0.41 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | ALDH5A1 | P51649 | 1/20 | 0.41 |
| ▸ | ABAT | P80404 | 1/20 | 0.41 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.41 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.41 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.37 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL25196222 | 0.94 | CYP2A6 (0.41) | CYP2A6ALDH1A1ALDH1A3ALDH3A1TYR | |
| SCHEMBL14939968 | 0.84 | ALDH1A1 (0.42) | CYP2A6ALDH1A1ALDH1A3ALDH3A1TYR | |
| SCHEMBL8674984 | 0.83 | CYP2A6 (0.43) | CYP2A6ALDH1A1ALDH1A3ALDH3A1TYR | |
| SCHEMBL28935765 | 0.81 | ALDH1A1 (0.40) | CYP2A6ALDH1A1ALDH1A3ALDH3A1TYR | |
| SCHEMBL4603900 | 0.80 | IDO1 (0.39) | ALDH1A1HSD17B10NPSR1LMNAMAPT | |
| SCHEMBL28935768 | 0.78 | ALDH5A1 (0.43) | CYP2A6ALDH1A1ALDH1A3ALDH3A1TYR | |
| SCHEMBL8725254 | 0.78 | EGFR (0.40) | CYP2A6ALDH1A1ALDH1A3ALDH3A1TYR | |
| SCHEMBL28985008 | 0.77 | ALDH1A1 (0.45) | CYP2A6ALDH1A1TYRCYP2A13HSD17B10 | |
| SCHEMBL243999 | 0.73 | APP (0.56) | CYP2A6ALDH1A1ALDH1A3ALDH3A1TYR | |
| SCHEMBL23094970 | 0.73 | ALDH1A1 (0.39) | CYP2A6ALDH1A1TYRALDH5A1ABAT |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5691341-A | ANTILEUKEMIA AGENT | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1997-11-25 | — | — | US | disclosed |
| US-5464833-A | Anticarcinogenic agents, antiretrovirus agents or autoimmune diseases | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1995-11-07 | — | — | US | disclosed |
| EP-0623598-A1 | APOPTOSIS REGULATOR | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1994-11-09 | — | — | EP | disclosed |
| US-4760064-A | Cardiotonic agent | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1988-07-26 | — | — | US | disclosed |
| EP-0187322-A1 | Carbostyril compounds, compositions containing same and processes for preparing same | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1986-07-16 | — | — | EP | disclosed |