Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FDPS | P14324 | 1/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 10/20 | 0.59 |
| ▸ | MAPT | P10636 | 5/20 | 0.59 |
| ▸ | HPGD | P15428 | 4/20 | 0.59 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.59 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.59 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.59 |
| ▸ | TACR2 | P21452 | 1/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.55 |
| ▸ | LMNA | P02545 | 2/20 | 0.53 |
| ▸ | HTT | P42858 | 1/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.50 |
| ▸ | POLB | P06746 | 2/20 | 0.50 |
| ▸ | MEN1 | O00255 | 2/20 | 0.50 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL22572793 | 0.91 | ALDH1A1 (0.65) | FDPSALDH1A1MAPTHPGDTDP1 | |
| SCHEMBL11212209 | 0.91 | ALDH1A1 (0.64) | FDPSALDH1A1MAPTHPGDTDP1 | |
| SCHEMBL4948728 | 0.91 | ALDH1A1 (0.64) | FDPSALDH1A1MAPTHPGDTDP1 | |
| SCHEMBL13221144 | 0.86 | ALDH1A1 (0.63) | FDPSALDH1A1MAPTHPGDTDP1 | |
| SCHEMBL5882634 | 0.86 | FDPS (0.69) | FDPSALDH1A1MAPTHPGDTDP1 | |
| SCHEMBL493684 | 0.86 | ALDH1A1 (0.73) | FDPSALDH1A1MAPTHPGDTDP1 | |
| SCHEMBL30159697 | 0.86 | ALDH1A1 (0.73) | FDPSALDH1A1MAPTHPGDTDP1 | |
| SCHEMBL3464529 | 0.85 | FDPS (0.69) | FDPSALDH1A1MAPTHPGDTDP1 | |
| SCHEMBL3632198 | 0.85 | ALDH1A1 (0.61) | FDPSALDH1A1MAPTHPGDTDP1 | |
| SCHEMBL4940154 | 0.84 | ALDH1A1 (0.60) | FDPSALDH1A1MAPTHPGDTDP1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6627651-B1 | Exhibiting preventive and therapeutic effects against HIV infectious diseases wherein R1 is an optionally substituted five- or six-membered ring group; X1 is a free valency or the like; W is a divalent group and inhibitors of HIV (human | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2003-09-30 | — | — | US | disclosed |
| EP-1182195-A1 | CYCLIC COMPOUNDS AND USES THEREOF | Takeda Chemical Industries, Ltd. (JP) | 2002-02-27 | — | — | EP | disclosed |