Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | PTK2B | Q14289 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | ERN1 | O75460 | 5/20 | 0.38 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.37 |
| ▸ | DUSP3 | P51452 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL31556816 | 0.88 | TDP1 (0.48) | ALDH1A1MEN1KMT2AKDM4EPOLB | |
| SCHEMBL27683236 | 0.87 | ERN1 (0.39) | ALDH1A1SMN1; SMN2MEN1KMT2ARAB9A | |
| SCHEMBL6257642 | 0.84 | TDP1 (0.52) | CYP2A6ALDH1A1SMN1; SMN2RAB9AKDM4E | |
| SCHEMBL12121360 | 0.82 | MAPT (0.52) | ALDH1A1MEN1KMT2ARAB9AKDM4E | |
| SCHEMBL27937014 | 0.80 | CYP2A6 (0.46) | CYP2A6ALDH1A1SMN1; SMN2MEN1KMT2A | |
| SCHEMBL5332809 | 0.77 | TYR (0.50) | CYP2A6ALDH1A1SMN1; SMN2MEN1KMT2A | |
| SCHEMBL8035343 | 0.77 | TDP1 (0.53) | CYP2A6ALDH1A1SMN1; SMN2MEN1KMT2A | |
| SCHEMBL27770212 | 0.76 | CYP2A6 (0.39) | CYP2A6ALDH1A1SMN1; SMN2MEN1KMT2A | |
| SCHEMBL5953299 | 0.74 | TDP1 (0.70) | ALDH1A1SMN1; SMN2MEN1KMT2ARAB9A | |
| SCHEMBL5734790 | 0.74 | ALDH1A1 (0.58) | ALDH1A1KDM4EHPGDTDP1TSHR |
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 |