Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | NAMPT | P43490 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.41 |
| ▸ | FAAH | O00519 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.40 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | RXFP1 | Q9HBX9 | 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 | |
|---|---|---|---|---|
| SCHEMBL7036875 | 1.00 | ALDH1A1 (0.41) | ALDH1A1NPC1RAB9ANAMPTCYP2C9 | |
| SCHEMBL13240165 | 0.84 | ALDH1A1 (0.39) | ALDH1A1NPC1RAB9ANAMPTCYP2C9 | |
| SCHEMBL7639531 | 0.84 | NAMPT (0.44) | ALDH1A1NAMPTCYP2C9FAAHKDM4E | |
| SCHEMBL234986 | 0.82 | NAMPT (0.41) | ALDH1A1NAMPTCYP2C9FAAHKDM4E | |
| SCHEMBL234985 | 0.82 | NAMPT (0.41) | ALDH1A1NAMPTCYP2C9FAAHKDM4E | |
| SCHEMBL7641148 | 0.82 | CHRNB2 (0.44) | ALDH1A1NAMPTCYP2C9FAAHKDM4E | |
| SCHEMBL7641149 | 0.82 | CHRNB2 (0.44) | ALDH1A1NAMPTCYP2C9FAAHKDM4E | |
| SCHEMBL7753562 | 0.81 | NAMPT (0.43) | ALDH1A1NAMPTCYP2C9FAAHKDM4E | |
| SCHEMBL7644677 | 0.81 | FAAH (0.43) | ALDH1A1NAMPTCYP2C9FAAHKDM4E | |
| SCHEMBL7106276 | 0.81 | NAMPT (0.41) | ALDH1A1NAMPTCYP2C9FAAHKDM4E |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0873325-B1 | PROCESS FOR PRODUCING GUANIDINE DERIVATIVES, INTERMEDIATES THEREFOR AND THEIR PRODUCTION | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 2003-03-12 | — | — | EP | claimed |
| US-6008363-A | REACTING AN O-METHYL-N-NITROSOUREA COMPOUND OR SALT WITH AN HETEROCYCLIC AMINE COMPOUND; FREE OF BAD SMELL; HIGH YIELD | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1999-12-28 | — | — | US | claimed |
| EP-0873325-A1 | PROCESS FOR PRODUCING GUANIDINE DERIVATIVES, INTERMEDIATES THEREFOR AND THEIR PRODUCTION | Takeda Chemical Industries, Ltd. (JP) | 1998-10-28 | — | — | EP | claimed |
| WO-1997000867-A1 | PROCESS FOR PRODUCING GUANIDINE DERIVATIVES, INTERMEDIATES THEREFOR AND THEIR PRODUCTION | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1997-01-09 | — | — | WO | claimed |
| JP-9067342-A | — | — | None | — | — | JP | disclosed |
| EP-0873325-B1 | PROCESS FOR PRODUCING GUANIDINE DERIVATIVES, INTERMEDIATES THEREFOR AND THEIR PRODUCTION | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 2003-03-12 | — | — | EP | disclosed |
| US-6166215-A | Process for producing guanidine derivatives, intermediates therefor and their production | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2000-12-26 | — | — | US | disclosed |
| US-6008363-A | REACTING AN O-METHYL-N-NITROSOUREA COMPOUND OR SALT WITH AN HETEROCYCLIC AMINE COMPOUND; FREE OF BAD SMELL; HIGH YIELD | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1999-12-28 | — | — | US | disclosed |
| EP-0873325-A1 | PROCESS FOR PRODUCING GUANIDINE DERIVATIVES, INTERMEDIATES THEREFOR AND THEIR PRODUCTION | Takeda Chemical Industries, Ltd. (JP) | 1998-10-28 | — | — | EP | disclosed |
| JP-H0967342-A | PRODUCTION OF GUANIDINE DERIVATIVE, NEW INTERMEDIATE AND ITS PRODUCTION | TAKEDA CHEM IND LTD | 1997-03-11 | — | — | JP | disclosed |
| WO-1997000867-A1 | PROCESS FOR PRODUCING GUANIDINE DERIVATIVES, INTERMEDIATES THEREFOR AND THEIR PRODUCTION | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1997-01-09 | — | — | WO | disclosed |