Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDCD1 | Q15116 | 1/20 | 0.36 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.35 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.34 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.34 |
| ▸ | HTR1A | P08908 | 4/20 | 0.33 |
| ▸ | HTR7 | P34969 | 4/20 | 0.33 |
| ▸ | HTR2B | P41595 | 3/20 | 0.33 |
| ▸ | TMEM97 | Q5BJF2 | 3/20 | 0.33 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.33 |
| ▸ | BRD4 | O60885 | 1/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.32 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 2/20 | 0.31 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL4603520 | 0.83 | PDCD1 (0.36) | PDCD1CD274ALDH1A1HSD17B10CHRNB2 | |
| Hydrochloric Acid SCHEMBL5695379 | 0.81 | PDCD1 (0.35) | PDCD1CD274ALDH1A1HSD17B10CHRNB2 | |
| Hydrochloric Acid SCHEMBL28723777 | 0.81 | PDCD1 (0.35) | PDCD1CD274ALDH1A1HSD17B10CHRNB2 | |
| SCHEMBL5694274 | 0.81 | PDCD1 (0.37) | PDCD1CD274ALDH1A1HSD17B10CHRNB2 | |
| Chloromethane SCHEMBL5722647 | 0.80 | PDCD1 (0.34) | PDCD1CD274CHRNB2CHRNA4BRD4 | |
| SCHEMBL7030356 | 0.79 | PDCD1 (0.36) | PDCD1CD274ALDH1A1HSD17B10CHRNB2 | |
| SCHEMBL27478125 | 0.79 | PDCD1 (0.36) | PDCD1CD274ALDH1A1HSD17B10CHRNB2 | |
| SCHEMBL28550963 | 0.79 | PDCD1 (0.36) | PDCD1CD274ALDH1A1HSD17B10CHRNB2 | |
| SCHEMBL7525652 | 0.79 | PDCD1 (0.36) | PDCD1CD274ALDH1A1HSD17B10CHRNB2 | |
| SCHEMBL6911211 | 0.79 | PDCD1 (0.36) | PDCD1CD274ALDH1A1HSD17B10CHRNB2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1373284-A1 | CATALYSTS CHARACTERIZED BY A DONOR-ACCEPTOR INTERACTION | Bayer Aktiengesellschaft (DE) | 2004-01-02 | — | — | EP | disclosed |
| WO-2002076999-A1 | CATALYSTS CHARACTERIZED BY A DONOR-ACCEPTOR INTERACTION | BAYER AKTIENGESELLSCHAFT (DE) | 2002-10-03 | — | — | WO | disclosed |