Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.55 |
| ▸ | RAB9A | P51151 | 3/20 | 0.50 |
| ▸ | MAPT | P10636 | 2/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.50 |
| ▸ | NPC1 | O15118 | 2/20 | 0.50 |
| ▸ | APP | P05067 | 1/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.42 |
| ▸ | GAA | P10253 | 2/20 | 0.42 |
| ▸ | PLIN1 | O60240 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | PLIN5 | Q00G26 | 1/20 | 0.42 |
| ▸ | ABHD5 | Q8WTS1 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | FLT3 | P36888 | 1/20 | 0.42 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.42 |
| ▸ | MGLL | Q99685 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | MAOB | P27338 | 3/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | TYR | P14679 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL6950514 | 1.00 | CYP2A6 (0.55) | CYP2A6RAB9AMAPTMAPK1NPC1 | |
| SCHEMBL6003015 | 0.82 | CYP2A6 (0.55) | CYP2A6RAB9AMAPTMAPK1NPC1 | |
| SCHEMBL9812045 | 0.81 | CYP2A6 (0.58) | CYP2A6RAB9AMAPTMAPK1NPC1 | |
| SCHEMBL10105411 | 0.78 | MAPK1 (0.50) | CYP2A6RAB9AMAPTMAPK1NPC1 | |
| SCHEMBL3209446 | 0.76 | RAB9A (0.62) | CYP2A6RAB9AMAPTMAPK1NPC1 | |
| SCHEMBL3209460 | 0.76 | RAB9A (0.62) | CYP2A6RAB9AMAPTMAPK1NPC1 | |
| SCHEMBL12884250 | 0.76 | APP (0.76) | CYP2A6RAB9AMAPTMAPK1NPC1 | |
| SCHEMBL25508775 | 0.76 | CYP2A6 (0.60) | CYP2A6RAB9AMAPTMAPK1NPC1 | |
| SCHEMBL1512141 | 0.74 | APP (0.69) | CYP2A6RAB9AMAPTMAPK1NPC1 | |
| SCHEMBL1512142 | 0.74 | APP (0.69) | CYP2A6RAB9AMAPTMAPK1NPC1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0974584-B1 | FUSED RING COMPOUNDS, PROCESS FOR PRODUCING THE SAME AND USE THEREOF | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 2003-01-15 | — | — | EP | disclosed |
| US-6420375-B1 | ANTITUMOR | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2002-07-16 | — | — | US | disclosed |
| EP-0974584-A1 | FUSED RING COMPOUNDS, PROCESS FOR PRODUCING THE SAME AND USE THEREOF | Takeda Chemical Industries, Ltd. (JP) | 2000-01-26 | — | — | EP | disclosed |
| EP-0670831-A1 | QUINOXALINE DERIVATIVE AS ANTIDIABETIC AGENT | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1995-09-13 | — | — | EP | disclosed |
| WO-1995009159-A1 | QUINOXALINE DERIVATIVE AS ANTIDIABETIC AGENT | OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) | 1995-04-06 | — | — | WO | disclosed |