Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDCD1 | Q15116 | 1/20 | 0.69 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.69 |
| ▸ | RXRA | P19793 | 4/20 | 0.64 |
| ▸ | RXRB | P28702 | 4/20 | 0.64 |
| ▸ | RXRG | P48443 | 1/20 | 0.59 |
| ▸ | BCL2 | P10415 | 1/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.54 |
| ▸ | NPC1 | O15118 | 4/20 | 0.54 |
| ▸ | RAB9A | P51151 | 4/20 | 0.54 |
| ▸ | MAPT | P10636 | 2/20 | 0.54 |
| ▸ | HTT | P42858 | 2/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.53 |
| ▸ | KMO | O15229 | 1/20 | 0.53 |
| ▸ | LMNA | P02545 | 2/20 | 0.52 |
| ▸ | GAA | P10253 | 1/20 | 0.52 |
| ▸ | CA12 | O43570 | 1/20 | 0.51 |
| ▸ | CA1 | P00915 | 1/20 | 0.51 |
| ▸ | CA2 | P00918 | 1/20 | 0.51 |
| ▸ | CA7 | P43166 | 1/20 | 0.51 |
| ▸ | CA9 | Q16790 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL20085587 | 0.85 | PDCD1 (0.59) | PDCD1CD274RXRARXRBRXRG | |
| SCHEMBL20085556 | 0.85 | PDCD1 (0.59) | PDCD1CD274RXRARXRBRXRG | |
| SCHEMBL6233392 | 0.84 | NPC1 (0.62) | PDCD1CD274RXRARXRBSMN1; SMN2 | |
| SCHEMBL30678268 | 0.84 | NPC1 (0.62) | PDCD1CD274RXRARXRBSMN1; SMN2 | |
| SCHEMBL14524832 | 0.83 | PDCD1 (0.57) | PDCD1CD274RXRARXRBRXRG | |
| SCHEMBL7224347 | 0.83 | CA12 (0.64) | RXRARXRBRXRGBCL2KMO | |
| Benzoic Acid 1-Methylethyl Ester SCHEMBL28356777 | 0.82 | PDCD1 (0.74) | PDCD1CD274RXRARXRBSMN1; SMN2 | |
| SCHEMBL296543 | 0.82 | PDCD1 (1.00) | PDCD1CD274RXRARXRBSMN1; SMN2 | |
| Benzoic Acid 1-Methylethyl Ester SCHEMBL29187646 | 0.80 | PDCD1 (0.70) | PDCD1CD274SMN1; SMN2NPC1RAB9A | |
| SCHEMBL69066 | 0.80 | KMO (0.80) | RXRARXRBRXRGBCL2KMO |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1140072-B1 | COMPOUNDS AND METHODS | SMITHKLINE BEECHAM CORP (US) | 2004-04-14 | — | — | EP | disclosed |
| EP-1140072-A4 | COMPOUNDS AND METHODS | SMITHKLINE BEECHAM CORP (US) | 2003-04-16 | — | — | EP | disclosed |
| EP-1140072-A1 | COMPOUNDS AND METHODS | SMITHKLINE BEECHAM CORPORATION (US) | 2001-10-10 | — | — | EP | disclosed |
| WO-2000040239-A1 | COMPOUNDS AND METHODS | SMITHKLINE BEECHAM CORPORATION (US) | 2000-07-13 | — | — | WO | disclosed |