Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDCD1 | Q15116 | 1/20 | 0.39 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 4/20 | 0.38 |
| ▸ | RAB9A | P51151 | 4/20 | 0.38 |
| ▸ | HTT | P42858 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | F2 | P00734 | 1/20 | 0.36 |
| ▸ | PLAU | P00749 | 1/20 | 0.36 |
| ▸ | ELANE | P08246 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | SCN1A | P35498 | 1/20 | 0.34 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.34 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| Benzoic Acid 1-Methylethyl Ester SCHEMBL96918 | 0.66 | PDCD1 (0.78) | PDCD1CD274NPC1RAB9AHTT | |
| Benzoic Acid 1-Methylethyl Ester SCHEMBL27592410 | 0.66 | PDCD1 (0.78) | PDCD1CD274NPC1RAB9AHTT | |
| Benzoic Acid 1-Methylethyl Ester SCHEMBL29019189 | 0.64 | PDCD1 (0.75) | PDCD1CD274NPC1RAB9AHTT | |
| Benzoic Acid 1-Methylethyl Ester SCHEMBL8381956 | 0.64 | PDCD1 (0.75) | PDCD1CD274NPC1RAB9AHTT | |
| Benzoic Acid 1-Methylethyl Ester SCHEMBL9343935 | 0.64 | PDCD1 (0.75) | PDCD1CD274NPC1RAB9AHTT | |
| Benzoic Acid 1-Methylethyl Ester SCHEMBL31017505 | 0.64 | PDCD1 (0.75) | PDCD1CD274NPC1RAB9AHTT | |
| Benzoic Acid 1-Methylethyl Ester SCHEMBL28432759 | 0.64 | PDCD1 (0.75) | PDCD1CD274NPC1RAB9AHTT | |
| SCHEMBL660364 | 0.63 | PDCD1 (0.43) | PDCD1CD274NPC1RAB9AHTT | |
| SCHEMBL1200654 | 0.62 | TSHR (0.58) | PDCD1CD274NPC1RAB9AHTT | |
| Benzoic Acid 1-Methylethyl Ester SCHEMBL29187646 | 0.62 | PDCD1 (0.70) | PDCD1CD274NPC1RAB9AHTT |
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-2427432-A2 | NOVEL HETEROCYCLIC COMPOUNDS | Torrent Pharmaceuticals Limited (IN) | 2012-03-14 | — | — | EP | disclosed |
| WO-2010128528-A2 | NOVEL HETEROCYCLIC COMPOUNDS | TORRENT PHARMACEUTICALS LIMITED (IN) | 2010-11-11 | — | — | WO | disclosed |